Copper in PDB 5ue6: Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Protein crystallography data
The structure of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122, PDB code: 5ue6
was solved by
A.Hamza,
Z.A.Williamson,
R.W.Reed,
A.E.Sikora,
K.V.Korotkov,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
83.68 /
2.35
|
Space group
|
I 41 2 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
177.340,
177.340,
449.460,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
23.6 /
25.9
|
Other elements in 5ue6:
The structure of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 also contains other interesting chemical elements:
Copper Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Copper atom in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
(pdb code 5ue6). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 18 binding sites of Copper where determined in the
Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122, PDB code: 5ue6:
Jump to Copper binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Copper binding site 1 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 1 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 1 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu501
b:30.1
occ:1.00
|
ND1
|
A:HIS183
|
2.0
|
26.1
|
1.0
|
ND1
|
A:HIS134
|
2.1
|
22.4
|
1.0
|
SG
|
A:CYS175
|
2.2
|
24.6
|
1.0
|
SD
|
A:MET188
|
2.6
|
27.8
|
1.0
|
CE1
|
A:HIS183
|
2.9
|
25.1
|
1.0
|
CE1
|
A:HIS134
|
3.0
|
23.7
|
1.0
|
HE1
|
A:HIS183
|
3.0
|
30.1
|
1.0
|
HB3
|
A:HIS183
|
3.0
|
30.0
|
1.0
|
CG
|
A:HIS134
|
3.1
|
22.3
|
1.0
|
HA
|
A:HIS134
|
3.1
|
30.9
|
1.0
|
HE1
|
A:MET188
|
3.1
|
26.0
|
1.0
|
HB3
|
A:HIS134
|
3.1
|
29.1
|
1.0
|
HE1
|
A:HIS134
|
3.1
|
28.5
|
1.0
|
CG
|
A:HIS183
|
3.1
|
24.8
|
1.0
|
CB
|
A:CYS175
|
3.2
|
23.3
|
1.0
|
HB2
|
A:CYS175
|
3.2
|
28.1
|
1.0
|
HB3
|
A:CYS175
|
3.2
|
28.1
|
1.0
|
CE
|
A:MET188
|
3.4
|
21.6
|
1.0
|
CB
|
A:HIS134
|
3.5
|
24.2
|
1.0
|
CB
|
A:HIS183
|
3.6
|
24.9
|
1.0
|
HE2
|
A:MET188
|
3.7
|
26.0
|
1.0
|
HB
|
A:VAL177
|
3.7
|
33.7
|
1.0
|
CA
|
A:HIS134
|
3.8
|
25.7
|
1.0
|
HE3
|
A:TRP101
|
3.8
|
27.6
|
1.0
|
H
|
A:ASN135
|
3.9
|
29.0
|
1.0
|
O
|
A:PRO133
|
4.0
|
22.5
|
1.0
|
NE2
|
A:HIS183
|
4.0
|
25.7
|
1.0
|
NE2
|
A:HIS134
|
4.1
|
19.4
|
1.0
|
CD2
|
A:HIS183
|
4.2
|
24.8
|
1.0
|
HG23
|
A:VAL177
|
4.2
|
30.2
|
1.0
|
CD2
|
A:HIS134
|
4.2
|
21.5
|
1.0
|
CG
|
A:MET188
|
4.2
|
24.1
|
1.0
|
HE3
|
A:MET188
|
4.2
|
26.0
|
1.0
|
HG21
|
A:VAL177
|
4.2
|
30.2
|
1.0
|
HB2
|
A:HIS183
|
4.3
|
30.0
|
1.0
|
HA
|
A:HIS183
|
4.3
|
31.1
|
1.0
|
H
|
A:VAL177
|
4.3
|
32.7
|
1.0
|
HB2
|
A:HIS134
|
4.4
|
29.1
|
1.0
|
CE3
|
A:TRP101
|
4.5
|
23.0
|
1.0
|
HG3
|
A:MET188
|
4.5
|
29.0
|
1.0
|
CG2
|
A:VAL177
|
4.5
|
25.1
|
1.0
|
HB3
|
A:MET188
|
4.5
|
26.2
|
1.0
|
CA
|
A:HIS183
|
4.5
|
25.8
|
1.0
|
CB
|
A:VAL177
|
4.5
|
28.0
|
1.0
|
HB2
|
A:MET188
|
4.6
|
26.2
|
1.0
|
N
|
A:ASN135
|
4.6
|
24.1
|
1.0
|
CA
|
A:CYS175
|
4.6
|
26.2
|
1.0
|
HG23
|
A:VAL132
|
4.7
|
25.3
|
1.0
|
HZ3
|
A:TRP101
|
4.7
|
30.4
|
1.0
|
HB3
|
A:TRP101
|
4.7
|
27.2
|
1.0
|
CB
|
A:MET188
|
4.7
|
21.8
|
1.0
|
N
|
A:HIS134
|
4.7
|
24.5
|
1.0
|
C
|
A:PRO133
|
4.8
|
23.6
|
1.0
|
HE2
|
A:HIS183
|
4.8
|
30.9
|
1.0
|
C
|
A:HIS134
|
4.8
|
27.6
|
1.0
|
HG2
|
A:MET188
|
4.9
|
29.0
|
1.0
|
HE2
|
A:HIS134
|
4.9
|
23.4
|
1.0
|
HA
|
A:CYS175
|
4.9
|
31.6
|
1.0
|
CZ3
|
A:TRP101
|
4.9
|
25.2
|
1.0
|
|
Copper binding site 2 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 2 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 2 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu502
b:28.8
occ:1.00
|
NE2
|
A:HIS174
|
2.1
|
25.5
|
1.0
|
NE2
|
A:HIS139
|
2.1
|
25.6
|
1.0
|
O
|
A:HOH740
|
2.2
|
30.6
|
1.0
|
NE2
|
B:HIS329
|
2.2
|
24.2
|
1.0
|
CE1
|
A:HIS139
|
2.9
|
27.0
|
1.0
|
HE1
|
A:HIS139
|
2.9
|
32.4
|
1.0
|
CD2
|
A:HIS174
|
3.0
|
25.8
|
1.0
|
HD2
|
A:HIS174
|
3.1
|
31.1
|
1.0
|
CE1
|
A:HIS174
|
3.1
|
22.2
|
1.0
|
CD2
|
B:HIS329
|
3.2
|
25.7
|
1.0
|
CE1
|
B:HIS329
|
3.2
|
25.0
|
1.0
|
CD2
|
A:HIS139
|
3.2
|
26.2
|
1.0
|
HD2
|
B:HIS329
|
3.3
|
30.9
|
1.0
|
HE1
|
B:HIS329
|
3.4
|
30.0
|
1.0
|
HE1
|
A:HIS174
|
3.4
|
26.7
|
1.0
|
HD2
|
A:HIS139
|
3.5
|
31.6
|
1.0
|
NE2
|
B:HIS280
|
3.9
|
29.4
|
1.0
|
OD2
|
A:ASP137
|
4.0
|
34.3
|
1.0
|
ND1
|
A:HIS139
|
4.1
|
28.7
|
1.0
|
CG
|
A:HIS174
|
4.1
|
23.0
|
1.0
|
ND1
|
A:HIS174
|
4.2
|
26.9
|
1.0
|
HG12
|
B:ILE282
|
4.2
|
46.8
|
1.0
|
CD2
|
B:HIS280
|
4.2
|
29.1
|
1.0
|
HD2
|
B:HIS280
|
4.2
|
35.0
|
1.0
|
CG
|
A:HIS139
|
4.3
|
29.5
|
1.0
|
ND1
|
B:HIS329
|
4.3
|
25.8
|
1.0
|
CG
|
B:HIS329
|
4.4
|
26.4
|
1.0
|
O
|
A:HOH777
|
4.4
|
31.6
|
1.0
|
CE1
|
B:HIS280
|
4.6
|
27.8
|
1.0
|
CG
|
A:ASP137
|
4.7
|
34.9
|
1.0
|
HD13
|
B:ILE331
|
4.8
|
29.9
|
1.0
|
HG22
|
A:ILE172
|
4.8
|
26.0
|
1.0
|
HD1
|
A:HIS139
|
4.8
|
34.5
|
1.0
|
HB3
|
A:ASP137
|
4.9
|
38.1
|
1.0
|
HE1
|
B:HIS280
|
4.9
|
33.4
|
1.0
|
HA3
|
A:GLY309
|
4.9
|
32.3
|
1.0
|
HD11
|
A:ILE184
|
4.9
|
34.2
|
1.0
|
HD1
|
A:HIS174
|
5.0
|
32.4
|
1.0
|
|
Copper binding site 3 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 3 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 3 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu504
b:34.0
occ:1.00
|
NE2
|
C:HIS139
|
2.1
|
29.7
|
1.0
|
NE2
|
C:HIS174
|
2.2
|
22.6
|
1.0
|
NE2
|
A:HIS329
|
2.3
|
27.8
|
1.0
|
CE1
|
C:HIS139
|
3.0
|
29.2
|
1.0
|
CD2
|
C:HIS174
|
3.1
|
24.6
|
1.0
|
HE1
|
C:HIS139
|
3.1
|
35.2
|
1.0
|
CD2
|
A:HIS329
|
3.2
|
27.0
|
1.0
|
CE1
|
C:HIS174
|
3.2
|
24.2
|
1.0
|
HD2
|
C:HIS174
|
3.2
|
29.7
|
1.0
|
CD2
|
C:HIS139
|
3.2
|
25.6
|
1.0
|
CE1
|
A:HIS329
|
3.3
|
25.3
|
1.0
|
HD2
|
A:HIS329
|
3.3
|
32.5
|
1.0
|
HE1
|
C:HIS174
|
3.4
|
29.2
|
1.0
|
HE1
|
A:HIS329
|
3.5
|
30.4
|
1.0
|
HD2
|
C:HIS139
|
3.5
|
30.8
|
1.0
|
NE2
|
A:HIS280
|
3.8
|
29.2
|
1.0
|
OD2
|
C:ASP137
|
3.9
|
35.9
|
1.0
|
HD2
|
A:HIS280
|
3.9
|
34.8
|
1.0
|
CD2
|
A:HIS280
|
4.0
|
28.9
|
1.0
|
HG12
|
A:ILE282
|
4.1
|
36.5
|
1.0
|
ND1
|
C:HIS139
|
4.2
|
27.5
|
1.0
|
CG
|
C:HIS174
|
4.3
|
23.7
|
1.0
|
ND1
|
C:HIS174
|
4.3
|
25.3
|
1.0
|
CG
|
C:HIS139
|
4.3
|
27.8
|
1.0
|
ND1
|
A:HIS329
|
4.4
|
24.4
|
1.0
|
CG
|
A:HIS329
|
4.4
|
26.9
|
1.0
|
CG
|
C:ASP137
|
4.6
|
33.5
|
1.0
|
CE1
|
A:HIS280
|
4.6
|
27.0
|
1.0
|
HD13
|
A:ILE331
|
4.8
|
31.6
|
1.0
|
HB3
|
C:ASP137
|
4.8
|
37.0
|
1.0
|
CG
|
A:HIS280
|
4.9
|
28.0
|
1.0
|
HG22
|
C:ILE172
|
4.9
|
26.0
|
1.0
|
HD1
|
C:HIS139
|
4.9
|
33.1
|
1.0
|
HA3
|
C:GLY309
|
4.9
|
26.6
|
1.0
|
|
Copper binding site 4 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 4 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cu501
b:28.4
occ:1.00
|
ND1
|
B:HIS183
|
2.0
|
23.4
|
1.0
|
ND1
|
B:HIS134
|
2.1
|
26.7
|
1.0
|
SG
|
B:CYS175
|
2.2
|
21.8
|
1.0
|
SD
|
B:MET188
|
2.5
|
24.5
|
1.0
|
HB3
|
B:HIS183
|
2.9
|
29.4
|
1.0
|
CE1
|
B:HIS183
|
2.9
|
24.7
|
1.0
|
CE1
|
B:HIS134
|
3.0
|
24.3
|
1.0
|
CG
|
B:HIS183
|
3.1
|
22.2
|
1.0
|
HE1
|
B:HIS183
|
3.1
|
29.7
|
1.0
|
HE1
|
B:HIS134
|
3.1
|
29.2
|
1.0
|
CG
|
B:HIS134
|
3.2
|
29.1
|
1.0
|
HB3
|
B:CYS175
|
3.2
|
25.7
|
1.0
|
CB
|
B:CYS175
|
3.2
|
21.3
|
1.0
|
HE1
|
B:MET188
|
3.2
|
26.5
|
1.0
|
HA
|
B:HIS134
|
3.2
|
33.3
|
1.0
|
HB3
|
B:HIS134
|
3.2
|
34.9
|
1.0
|
HB2
|
B:CYS175
|
3.3
|
25.7
|
1.0
|
CE
|
B:MET188
|
3.4
|
22.0
|
1.0
|
CB
|
B:HIS183
|
3.5
|
24.5
|
1.0
|
CB
|
B:HIS134
|
3.6
|
29.0
|
1.0
|
HE3
|
B:TRP101
|
3.6
|
27.1
|
1.0
|
HB
|
B:VAL177
|
3.7
|
32.0
|
1.0
|
HE2
|
B:MET188
|
3.8
|
26.5
|
1.0
|
CA
|
B:HIS134
|
3.9
|
27.7
|
1.0
|
H
|
B:ASN135
|
4.0
|
32.9
|
1.0
|
NE2
|
B:HIS183
|
4.1
|
25.6
|
1.0
|
O
|
B:PRO133
|
4.1
|
27.8
|
1.0
|
CG
|
B:MET188
|
4.1
|
23.3
|
1.0
|
NE2
|
B:HIS134
|
4.1
|
26.6
|
1.0
|
CD2
|
B:HIS183
|
4.1
|
24.4
|
1.0
|
HB2
|
B:HIS183
|
4.2
|
29.4
|
1.0
|
HA
|
B:HIS183
|
4.2
|
26.6
|
1.0
|
HE3
|
B:MET188
|
4.2
|
26.5
|
1.0
|
CD2
|
B:HIS134
|
4.2
|
26.9
|
1.0
|
H
|
B:VAL177
|
4.3
|
27.1
|
1.0
|
HG23
|
B:VAL177
|
4.3
|
34.0
|
1.0
|
CE3
|
B:TRP101
|
4.3
|
22.5
|
1.0
|
HG3
|
B:MET188
|
4.4
|
28.0
|
1.0
|
HG21
|
B:VAL177
|
4.4
|
34.0
|
1.0
|
HZ3
|
B:TRP101
|
4.4
|
30.4
|
1.0
|
CA
|
B:HIS183
|
4.5
|
22.1
|
1.0
|
HB2
|
B:HIS134
|
4.5
|
34.9
|
1.0
|
HB2
|
B:MET188
|
4.5
|
25.4
|
1.0
|
CB
|
B:VAL177
|
4.5
|
26.6
|
1.0
|
HB3
|
B:MET188
|
4.5
|
25.4
|
1.0
|
CG2
|
B:VAL177
|
4.6
|
28.3
|
1.0
|
CA
|
B:CYS175
|
4.6
|
24.2
|
1.0
|
CB
|
B:MET188
|
4.7
|
21.1
|
1.0
|
HB3
|
B:TRP101
|
4.7
|
27.2
|
1.0
|
N
|
B:ASN135
|
4.7
|
27.4
|
1.0
|
HG23
|
B:VAL132
|
4.7
|
33.7
|
1.0
|
CZ3
|
B:TRP101
|
4.8
|
25.2
|
1.0
|
HG2
|
B:MET188
|
4.8
|
28.0
|
1.0
|
HE2
|
B:HIS183
|
4.8
|
30.8
|
1.0
|
N
|
B:HIS134
|
4.8
|
29.7
|
1.0
|
C
|
B:PRO133
|
4.9
|
29.0
|
1.0
|
C
|
B:HIS134
|
4.9
|
28.4
|
1.0
|
HE2
|
B:HIS134
|
4.9
|
32.0
|
1.0
|
HA
|
B:CYS175
|
4.9
|
29.1
|
1.0
|
|
Copper binding site 5 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 5 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 5 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cu502
b:29.5
occ:1.00
|
NE2
|
B:HIS174
|
2.1
|
21.9
|
1.0
|
NE2
|
B:HIS139
|
2.1
|
23.1
|
1.0
|
NE2
|
C:HIS329
|
2.2
|
22.5
|
1.0
|
CD2
|
B:HIS174
|
3.0
|
24.4
|
1.0
|
CE1
|
B:HIS139
|
3.0
|
25.6
|
1.0
|
HD2
|
B:HIS174
|
3.1
|
29.4
|
1.0
|
HE1
|
B:HIS139
|
3.1
|
30.7
|
1.0
|
CE1
|
C:HIS329
|
3.1
|
22.8
|
1.0
|
CE1
|
B:HIS174
|
3.2
|
19.7
|
1.0
|
CD2
|
B:HIS139
|
3.2
|
25.9
|
1.0
|
CD2
|
C:HIS329
|
3.3
|
23.0
|
1.0
|
HE1
|
C:HIS329
|
3.3
|
27.4
|
1.0
|
HE1
|
B:HIS174
|
3.4
|
23.8
|
1.0
|
HD2
|
B:HIS139
|
3.4
|
31.2
|
1.0
|
HD2
|
C:HIS329
|
3.4
|
27.7
|
1.0
|
NE2
|
C:HIS280
|
3.9
|
25.4
|
1.0
|
OD2
|
B:ASP137
|
4.0
|
34.3
|
1.0
|
HD2
|
C:HIS280
|
4.0
|
30.5
|
1.0
|
CD2
|
C:HIS280
|
4.1
|
25.3
|
1.0
|
ND1
|
B:HIS139
|
4.2
|
25.7
|
1.0
|
CG
|
B:HIS174
|
4.2
|
21.4
|
1.0
|
HG12
|
C:ILE282
|
4.2
|
32.9
|
1.0
|
ND1
|
B:HIS174
|
4.2
|
25.2
|
1.0
|
CG
|
B:HIS139
|
4.3
|
24.9
|
1.0
|
ND1
|
C:HIS329
|
4.3
|
21.9
|
1.0
|
CG
|
C:HIS329
|
4.4
|
22.9
|
1.0
|
CG
|
B:ASP137
|
4.6
|
32.0
|
1.0
|
CE1
|
C:HIS280
|
4.8
|
26.8
|
1.0
|
HB3
|
B:ASP137
|
4.8
|
34.7
|
1.0
|
HG22
|
B:ILE172
|
4.8
|
25.9
|
1.0
|
HD13
|
C:ILE331
|
4.8
|
32.1
|
1.0
|
HD1
|
B:HIS139
|
4.9
|
30.9
|
1.0
|
|
Copper binding site 6 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 6 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 6 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cu501
b:27.6
occ:1.00
|
ND1
|
C:HIS183
|
2.0
|
27.2
|
1.0
|
ND1
|
C:HIS134
|
2.1
|
27.1
|
1.0
|
SG
|
C:CYS175
|
2.2
|
23.6
|
1.0
|
SD
|
C:MET188
|
2.7
|
34.9
|
1.0
|
CE1
|
C:HIS183
|
2.9
|
26.3
|
1.0
|
HB3
|
C:HIS183
|
2.9
|
33.0
|
1.0
|
HE1
|
C:HIS183
|
3.0
|
31.6
|
1.0
|
CE1
|
C:HIS134
|
3.1
|
27.3
|
1.0
|
CG
|
C:HIS183
|
3.1
|
27.4
|
1.0
|
HB3
|
C:HIS134
|
3.1
|
34.7
|
1.0
|
CG
|
C:HIS134
|
3.2
|
28.8
|
1.0
|
HA
|
C:HIS134
|
3.2
|
36.1
|
1.0
|
CB
|
C:CYS175
|
3.2
|
26.7
|
1.0
|
HB3
|
C:CYS175
|
3.2
|
32.1
|
1.0
|
HE1
|
C:HIS134
|
3.2
|
32.8
|
1.0
|
HB2
|
C:CYS175
|
3.3
|
32.1
|
1.0
|
HE1
|
C:MET188
|
3.3
|
28.8
|
1.0
|
CB
|
C:HIS134
|
3.5
|
28.9
|
1.0
|
CB
|
C:HIS183
|
3.5
|
27.4
|
1.0
|
CE
|
C:MET188
|
3.6
|
23.9
|
1.0
|
HB
|
C:VAL177
|
3.6
|
34.6
|
1.0
|
CA
|
C:HIS134
|
3.8
|
30.0
|
1.0
|
HE3
|
C:TRP101
|
3.8
|
30.7
|
1.0
|
HE2
|
C:MET188
|
3.9
|
28.8
|
1.0
|
H
|
C:ASN135
|
3.9
|
33.9
|
1.0
|
NE2
|
C:HIS183
|
4.0
|
25.4
|
1.0
|
O
|
C:PRO133
|
4.1
|
27.0
|
1.0
|
CD2
|
C:HIS183
|
4.1
|
28.1
|
1.0
|
HB2
|
C:HIS183
|
4.2
|
33.0
|
1.0
|
HG23
|
C:VAL177
|
4.2
|
34.1
|
1.0
|
NE2
|
C:HIS134
|
4.2
|
27.8
|
1.0
|
HG21
|
C:VAL177
|
4.2
|
34.1
|
1.0
|
CG
|
C:MET188
|
4.3
|
28.6
|
1.0
|
CD2
|
C:HIS134
|
4.3
|
28.7
|
1.0
|
H
|
C:VAL177
|
4.3
|
38.2
|
1.0
|
HA
|
C:HIS183
|
4.4
|
33.1
|
1.0
|
HE3
|
C:MET188
|
4.4
|
28.8
|
1.0
|
HB2
|
C:HIS134
|
4.4
|
34.7
|
1.0
|
CB
|
C:VAL177
|
4.4
|
28.8
|
1.0
|
HG3
|
C:MET188
|
4.5
|
34.4
|
1.0
|
CG2
|
C:VAL177
|
4.5
|
28.4
|
1.0
|
CE3
|
C:TRP101
|
4.5
|
25.6
|
1.0
|
CA
|
C:HIS183
|
4.6
|
27.6
|
1.0
|
HB2
|
C:MET188
|
4.6
|
32.9
|
1.0
|
N
|
C:ASN135
|
4.6
|
28.2
|
1.0
|
CA
|
C:CYS175
|
4.6
|
26.3
|
1.0
|
HB3
|
C:MET188
|
4.6
|
32.9
|
1.0
|
HZ3
|
C:TRP101
|
4.7
|
32.8
|
1.0
|
HE2
|
C:HIS183
|
4.8
|
30.6
|
1.0
|
HB3
|
C:TRP101
|
4.8
|
25.6
|
1.0
|
CB
|
C:MET188
|
4.8
|
27.3
|
1.0
|
HG23
|
C:VAL132
|
4.8
|
30.9
|
1.0
|
N
|
C:HIS134
|
4.8
|
30.3
|
1.0
|
C
|
C:HIS134
|
4.8
|
30.1
|
1.0
|
C
|
C:PRO133
|
4.9
|
27.6
|
1.0
|
HA
|
C:CYS175
|
4.9
|
31.6
|
1.0
|
HG2
|
C:MET188
|
4.9
|
34.4
|
1.0
|
CZ3
|
C:TRP101
|
5.0
|
27.3
|
1.0
|
HE2
|
C:HIS134
|
5.0
|
33.4
|
1.0
|
HD2
|
C:HIS183
|
5.0
|
33.9
|
1.0
|
|
Copper binding site 7 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 7 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 7 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cu501
b:34.3
occ:1.00
|
ND1
|
D:HIS183
|
2.0
|
32.2
|
1.0
|
ND1
|
D:HIS134
|
2.2
|
33.1
|
1.0
|
SG
|
D:CYS175
|
2.2
|
34.7
|
1.0
|
SD
|
D:MET188
|
2.7
|
37.0
|
1.0
|
CE1
|
D:HIS183
|
2.8
|
34.3
|
1.0
|
HB3
|
D:HIS183
|
2.9
|
42.3
|
1.0
|
HE1
|
D:HIS183
|
2.9
|
41.3
|
1.0
|
CG
|
D:HIS183
|
3.0
|
33.7
|
1.0
|
HA
|
D:HIS134
|
3.1
|
44.2
|
1.0
|
CB
|
D:CYS175
|
3.1
|
37.9
|
1.0
|
CE1
|
D:HIS134
|
3.1
|
34.0
|
1.0
|
HB3
|
D:CYS175
|
3.1
|
45.6
|
1.0
|
HB3
|
D:HIS134
|
3.2
|
43.4
|
1.0
|
HE1
|
D:MET188
|
3.2
|
38.1
|
1.0
|
CG
|
D:HIS134
|
3.2
|
31.7
|
1.0
|
HB2
|
D:CYS175
|
3.2
|
45.6
|
1.0
|
HE1
|
D:HIS134
|
3.3
|
40.9
|
1.0
|
CE
|
D:MET188
|
3.5
|
31.7
|
1.0
|
CB
|
D:HIS183
|
3.5
|
35.2
|
1.0
|
CB
|
D:HIS134
|
3.5
|
36.1
|
1.0
|
HB
|
D:VAL177
|
3.6
|
44.1
|
1.0
|
HE2
|
D:MET188
|
3.8
|
38.1
|
1.0
|
CA
|
D:HIS134
|
3.8
|
36.8
|
1.0
|
HE3
|
D:TRP101
|
3.8
|
38.9
|
1.0
|
H
|
D:ASN135
|
3.9
|
44.3
|
1.0
|
NE2
|
D:HIS183
|
3.9
|
35.7
|
1.0
|
O
|
D:PRO133
|
4.0
|
35.6
|
1.0
|
CD2
|
D:HIS183
|
4.1
|
33.1
|
1.0
|
HB2
|
D:HIS183
|
4.2
|
42.3
|
1.0
|
HG23
|
D:VAL177
|
4.2
|
41.0
|
1.0
|
H
|
D:VAL177
|
4.2
|
46.5
|
1.0
|
CG
|
D:MET188
|
4.2
|
34.9
|
1.0
|
HG21
|
D:VAL177
|
4.3
|
41.0
|
1.0
|
NE2
|
D:HIS134
|
4.3
|
33.4
|
1.0
|
HA
|
D:HIS183
|
4.3
|
40.6
|
1.0
|
HE3
|
D:MET188
|
4.3
|
38.1
|
1.0
|
CD2
|
D:HIS134
|
4.3
|
32.7
|
1.0
|
HB2
|
D:HIS134
|
4.5
|
43.4
|
1.0
|
CB
|
D:VAL177
|
4.5
|
36.7
|
1.0
|
HG3
|
D:MET188
|
4.5
|
41.9
|
1.0
|
CA
|
D:HIS183
|
4.5
|
33.8
|
1.0
|
CG2
|
D:VAL177
|
4.5
|
34.1
|
1.0
|
CE3
|
D:TRP101
|
4.5
|
32.3
|
1.0
|
HB3
|
D:MET188
|
4.5
|
42.1
|
1.0
|
N
|
D:ASN135
|
4.6
|
36.9
|
1.0
|
HB2
|
D:MET188
|
4.6
|
42.1
|
1.0
|
CA
|
D:CYS175
|
4.6
|
37.8
|
1.0
|
HZ3
|
D:TRP101
|
4.7
|
39.2
|
1.0
|
HE2
|
D:HIS183
|
4.7
|
42.9
|
1.0
|
CB
|
D:MET188
|
4.7
|
35.1
|
1.0
|
HG23
|
D:VAL132
|
4.8
|
39.3
|
1.0
|
C
|
D:HIS134
|
4.8
|
38.3
|
1.0
|
N
|
D:HIS134
|
4.8
|
34.5
|
1.0
|
HB3
|
D:TRP101
|
4.8
|
37.4
|
1.0
|
C
|
D:PRO133
|
4.8
|
32.7
|
1.0
|
HA
|
D:CYS175
|
4.9
|
45.4
|
1.0
|
HG2
|
D:MET188
|
4.9
|
41.9
|
1.0
|
HD2
|
D:HIS183
|
4.9
|
39.8
|
1.0
|
CZ3
|
D:TRP101
|
5.0
|
32.6
|
1.0
|
N
|
D:VAL177
|
5.0
|
38.6
|
1.0
|
|
Copper binding site 8 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 8 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 8 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cu502
b:45.9
occ:1.00
|
NE2
|
D:HIS139
|
2.1
|
38.1
|
1.0
|
NE2
|
D:HIS174
|
2.1
|
39.1
|
1.0
|
NE2
|
E:HIS329
|
2.2
|
32.2
|
1.0
|
CE1
|
D:HIS139
|
2.9
|
37.8
|
1.0
|
HE1
|
D:HIS139
|
3.0
|
45.5
|
1.0
|
CD2
|
D:HIS174
|
3.0
|
39.4
|
1.0
|
HD2
|
D:HIS174
|
3.1
|
47.4
|
1.0
|
CD2
|
E:HIS329
|
3.2
|
33.8
|
1.0
|
CE1
|
D:HIS174
|
3.2
|
36.9
|
1.0
|
CE1
|
E:HIS329
|
3.2
|
33.8
|
1.0
|
CD2
|
D:HIS139
|
3.3
|
39.7
|
1.0
|
HD2
|
E:HIS329
|
3.3
|
40.6
|
1.0
|
HE1
|
D:HIS174
|
3.4
|
44.4
|
1.0
|
HE1
|
E:HIS329
|
3.4
|
40.6
|
1.0
|
HD2
|
D:HIS139
|
3.6
|
47.7
|
1.0
|
OD2
|
D:ASP137
|
3.9
|
50.1
|
1.0
|
NE2
|
E:HIS280
|
4.0
|
35.8
|
1.0
|
ND1
|
D:HIS139
|
4.1
|
38.0
|
1.0
|
HD2
|
E:HIS280
|
4.2
|
44.4
|
1.0
|
HG12
|
E:ILE282
|
4.2
|
49.5
|
1.0
|
CG
|
D:HIS174
|
4.2
|
39.4
|
1.0
|
CD2
|
E:HIS280
|
4.2
|
36.9
|
1.0
|
ND1
|
D:HIS174
|
4.2
|
38.4
|
1.0
|
CG
|
D:HIS139
|
4.3
|
37.8
|
1.0
|
CG
|
E:HIS329
|
4.3
|
33.5
|
1.0
|
ND1
|
E:HIS329
|
4.3
|
34.2
|
1.0
|
CG
|
D:ASP137
|
4.6
|
50.0
|
1.0
|
HD13
|
E:ILE331
|
4.7
|
35.5
|
1.0
|
CE1
|
E:HIS280
|
4.8
|
34.4
|
1.0
|
HG22
|
D:ILE172
|
4.8
|
41.6
|
1.0
|
HD1
|
D:HIS139
|
4.8
|
45.7
|
1.0
|
HB3
|
D:ASP137
|
4.9
|
55.9
|
1.0
|
HA3
|
D:GLY309
|
4.9
|
41.3
|
1.0
|
HD11
|
D:ILE184
|
5.0
|
42.1
|
1.0
|
|
Copper binding site 9 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 9 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 9 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cu504
b:43.5
occ:1.00
|
NE2
|
F:HIS139
|
2.0
|
38.1
|
1.0
|
NE2
|
D:HIS329
|
2.1
|
42.7
|
1.0
|
NE2
|
F:HIS174
|
2.2
|
33.7
|
1.0
|
O
|
F:HOH661
|
2.4
|
40.6
|
1.0
|
CE1
|
F:HIS139
|
2.8
|
39.1
|
1.0
|
HE1
|
F:HIS139
|
2.9
|
47.0
|
1.0
|
CD2
|
F:HIS174
|
3.1
|
34.4
|
1.0
|
CD2
|
D:HIS329
|
3.1
|
39.7
|
1.0
|
CE1
|
D:HIS329
|
3.1
|
40.1
|
1.0
|
CD2
|
F:HIS139
|
3.2
|
37.4
|
1.0
|
HD2
|
F:HIS174
|
3.2
|
41.4
|
1.0
|
CE1
|
F:HIS174
|
3.3
|
32.8
|
1.0
|
HD2
|
D:HIS329
|
3.3
|
47.7
|
1.0
|
HE1
|
D:HIS329
|
3.3
|
48.2
|
1.0
|
HD2
|
F:HIS139
|
3.4
|
45.0
|
1.0
|
HE1
|
F:HIS174
|
3.5
|
39.4
|
1.0
|
NE2
|
D:HIS280
|
3.8
|
38.7
|
1.0
|
HD2
|
D:HIS280
|
3.9
|
48.2
|
1.0
|
CD2
|
D:HIS280
|
4.0
|
40.1
|
1.0
|
ND1
|
F:HIS139
|
4.0
|
38.5
|
1.0
|
OD2
|
F:ASP137
|
4.1
|
49.6
|
1.0
|
CG
|
F:HIS139
|
4.2
|
39.0
|
1.0
|
ND1
|
D:HIS329
|
4.2
|
39.2
|
1.0
|
CG
|
D:HIS329
|
4.3
|
39.1
|
1.0
|
CG
|
F:HIS174
|
4.3
|
32.7
|
1.0
|
HG12
|
D:ILE282
|
4.3
|
54.4
|
1.0
|
ND1
|
F:HIS174
|
4.3
|
34.7
|
1.0
|
CE1
|
D:HIS280
|
4.6
|
37.4
|
1.0
|
HA3
|
F:GLY309
|
4.7
|
45.8
|
1.0
|
HG22
|
F:ILE172
|
4.8
|
39.6
|
1.0
|
HD1
|
F:HIS139
|
4.8
|
46.3
|
1.0
|
CG
|
F:ASP137
|
4.8
|
43.4
|
1.0
|
HD13
|
D:ILE331
|
4.8
|
41.9
|
1.0
|
CG
|
D:HIS280
|
4.8
|
38.4
|
1.0
|
HG21
|
F:ILE172
|
5.0
|
39.6
|
1.0
|
HB3
|
F:ASP137
|
5.0
|
49.2
|
1.0
|
HE1
|
D:HIS280
|
5.0
|
45.0
|
1.0
|
|
Copper binding site 10 out
of 18 in 5ue6
Go back to
Copper Binding Sites List in 5ue6
Copper binding site 10 out
of 18 in the Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 10 of Structure of Nitrite Reductase Ania From Neisseria Gonorrhoeae, Space Group I4122 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cu501
b:39.6
occ:1.00
|
ND1
|
E:HIS183
|
2.1
|
32.4
|
1.0
|
ND1
|
E:HIS134
|
2.2
|
32.4
|
1.0
|
SG
|
E:CYS175
|
2.3
|
36.7
|
1.0
|
SD
|
E:MET188
|
2.6
|
33.1
|
1.0
|
HB3
|
E:HIS183
|
2.9
|
39.6
|
1.0
|
CE1
|
E:HIS183
|
3.0
|
31.9
|
1.0
|
CE1
|
E:HIS134
|
3.1
|
29.9
|
1.0
|
CG
|
E:HIS183
|
3.1
|
30.1
|
1.0
|
HE1
|
E:HIS183
|
3.1
|
38.3
|
1.0
|
HE1
|
E:HIS134
|
3.1
|
35.9
|
1.0
|
HB3
|
E:CYS175
|
3.2
|
35.1
|
1.0
|
HA
|
E:HIS134
|
3.2
|
36.8
|
1.0
|
CB
|
E:CYS175
|
3.2
|
29.2
|
1.0
|
CG
|
E:HIS134
|
3.3
|
31.9
|
1.0
|
HE1
|
E:MET188
|
3.3
|
36.3
|
1.0
|
HB2
|
E:CYS175
|
3.3
|
35.1
|
1.0
|
HB3
|
E:HIS134
|
3.3
|
38.4
|
1.0
|
CB
|
E:HIS183
|
3.5
|
33.0
|
1.0
|
CE
|
E:MET188
|
3.5
|
30.2
|
1.0
|
HE3
|
E:TRP101
|
3.6
|
34.4
|
1.0
|
HB
|
E:VAL177
|
3.6
|
40.6
|
1.0
|
CB
|
E:HIS134
|
3.7
|
31.9
|
1.0
|
HE2
|
E:MET188
|
3.9
|
36.3
|
1.0
|
CA
|
E:HIS134
|
3.9
|
30.6
|
1.0
|
H
|
E:ASN135
|
4.1
|
38.6
|
1.0
|
O
|
E:PRO133
|
4.1
|
32.8
|
1.0
|
NE2
|
E:HIS183
|
4.1
|
32.0
|
1.0
|
CG
|
E:MET188
|
4.2
|
30.9
|
1.0
|
HB2
|
E:HIS183
|
4.2
|
39.6
|
1.0
|
CD2
|
E:HIS183
|
4.2
|
31.1
|
1.0
|
HA
|
E:HIS183
|
4.2
|
38.9
|
1.0
|
NE2
|
E:HIS134
|
4.2
|
31.4
|
1.0
|
H
|
E:VAL177
|
4.3
|
38.5
|
1.0
|
CE3
|
E:TRP101
|
4.3
|
28.6
|
1.0
|
HG23
|
E:VAL177
|
4.3
|
41.9
|
1.0
|
HE3
|
E:MET188
|
4.3
|
36.3
|
1.0
|
HG21
|
E:VAL177
|
4.3
|
41.9
|
1.0
|
CD2
|
E:HIS134
|
4.3
|
31.7
|
1.0
|
HG3
|
E:MET188
|
4.4
|
37.1
|
1.0
|
HZ3
|
E:TRP101
|
4.4
|
37.4
|
1.0
|
CA
|
E:HIS183
|
4.5
|
32.4
|
1.0
|
CB
|
E:VAL177
|
4.5
|
33.8
|
1.0
|
HB2
|
E:MET188
|
4.5
|
34.6
|
1.0
|
HB3
|
E:MET188
|
4.6
|
34.6
|
1.0
|
CG2
|
E:VAL177
|
4.6
|
34.9
|
1.0
|
HB2
|
E:HIS134
|
4.6
|
38.4
|
1.0
|
CA
|
E:CYS175
|
4.7
|
32.2
|
1.0
|
CZ3
|
E:TRP101
|
4.7
|
31.1
|
1.0
|
HB3
|
E:TRP101
|
4.7
|
34.1
|
1.0
|
CB
|
E:MET188
|
4.7
|
28.7
|
1.0
|
N
|
E:ASN135
|
4.7
|
32.1
|
1.0
|
HG23
|
E:VAL132
|
4.8
|
34.6
|
1.0
|
HG2
|
E:MET188
|
4.8
|
37.1
|
1.0
|
N
|
E:HIS134
|
4.9
|
32.9
|
1.0
|
HE2
|
E:HIS183
|
4.9
|
38.5
|
1.0
|
C
|
E:PRO133
|
4.9
|
31.1
|
1.0
|
C
|
E:HIS134
|
4.9
|
33.0
|
1.0
|
HA
|
E:CYS175
|
5.0
|
38.7
|
1.0
|
HE2
|
E:HIS134
|
5.0
|
37.8
|
1.0
|
|
Reference:
A.E.Sikora,
R.H.Mills,
J.V.Weber,
A.Hamza,
B.W.Passow,
A.Romaine,
Z.A.Williamson,
R.W.Reed,
R.A.Zielke,
K.V.Korotkov.
Peptide Inhibitors Targeting the Neisseria Gonorrhoeae Pivotal Anaerobic Respiration Factor Ania. Antimicrob. Agents V. 61 2017CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 28584144
DOI: 10.1128/AAC.00186-17
Page generated: Wed Jul 31 05:12:59 2024
|