Copper in PDB 3jtb: Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin
Protein crystallography data
The structure of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin, PDB code: 3jtb
was solved by
Y.G.Gao,
H.Robinson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
10.00 /
1.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
49.740,
63.790,
85.150,
90.00,
91.12,
90.00
|
R / Rfree (%)
|
22.7 /
25.9
|
Copper Binding Sites:
The binding sites of Copper atom in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin
(pdb code 3jtb). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the
Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin, PDB code: 3jtb:
Jump to Copper binding site number:
1;
2;
3;
4;
Copper binding site 1 out
of 4 in 3jtb
Go back to
Copper Binding Sites List in 3jtb
Copper binding site 1 out
of 4 in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 1 of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu129
b:24.6
occ:1.00
|
ND1
|
A:HIS46
|
2.1
|
19.9
|
1.0
|
SG
|
A:CYS112
|
2.2
|
23.8
|
1.0
|
CE
|
A:MET121
|
2.2
|
29.7
|
1.0
|
ND1
|
A:HIS117
|
2.3
|
33.1
|
1.0
|
O
|
A:GLY45
|
2.8
|
44.6
|
1.0
|
CE1
|
A:HIS46
|
2.9
|
22.1
|
1.0
|
CG
|
A:HIS46
|
3.1
|
20.7
|
1.0
|
CB
|
A:CYS112
|
3.2
|
17.4
|
1.0
|
CG
|
A:HIS117
|
3.2
|
26.6
|
1.0
|
CE1
|
A:HIS117
|
3.2
|
29.3
|
1.0
|
SD
|
A:MET121
|
3.2
|
21.7
|
1.0
|
CA
|
A:HIS46
|
3.4
|
17.5
|
1.0
|
CB
|
A:HIS117
|
3.5
|
17.9
|
1.0
|
CB
|
A:HIS46
|
3.6
|
22.3
|
1.0
|
C
|
A:GLY45
|
3.8
|
21.1
|
1.0
|
CB
|
A:ASN114
|
4.0
|
13.0
|
1.0
|
N
|
A:HIS46
|
4.0
|
15.6
|
1.0
|
NE2
|
A:HIS46
|
4.1
|
33.5
|
1.0
|
CD2
|
A:HIS46
|
4.2
|
18.9
|
1.0
|
CD2
|
A:HIS117
|
4.3
|
18.5
|
1.0
|
NE2
|
A:HIS117
|
4.3
|
18.7
|
1.0
|
CG
|
A:MET121
|
4.3
|
30.2
|
1.0
|
N
|
A:SER47
|
4.5
|
24.5
|
1.0
|
C
|
A:HIS46
|
4.5
|
20.9
|
1.0
|
CA
|
A:CYS112
|
4.6
|
9.7
|
1.0
|
N
|
A:ASN114
|
4.8
|
24.0
|
1.0
|
CG
|
A:ASN114
|
4.8
|
21.7
|
1.0
|
CB
|
A:MET121
|
4.9
|
24.5
|
1.0
|
C
|
A:CYS112
|
4.9
|
14.8
|
1.0
|
CA
|
A:HIS117
|
4.9
|
20.8
|
1.0
|
|
Copper binding site 2 out
of 4 in 3jtb
Go back to
Copper Binding Sites List in 3jtb
Copper binding site 2 out
of 4 in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 2 of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cu129
b:24.6
occ:1.00
|
ND1
|
B:HIS46
|
2.1
|
22.7
|
1.0
|
ND1
|
B:HIS117
|
2.2
|
25.2
|
1.0
|
SG
|
B:CYS112
|
2.2
|
23.1
|
1.0
|
O
|
B:GLY45
|
2.8
|
17.8
|
1.0
|
CE1
|
B:HIS46
|
2.9
|
30.2
|
1.0
|
SD
|
B:MET121
|
3.2
|
22.9
|
1.0
|
CE1
|
B:HIS117
|
3.2
|
27.7
|
1.0
|
CG
|
B:HIS117
|
3.2
|
24.2
|
1.0
|
CG
|
B:HIS46
|
3.2
|
19.6
|
1.0
|
CA
|
B:HIS46
|
3.4
|
23.6
|
1.0
|
CB
|
B:CYS112
|
3.5
|
25.0
|
1.0
|
CB
|
B:HIS117
|
3.5
|
14.4
|
1.0
|
CB
|
B:HIS46
|
3.8
|
17.5
|
1.0
|
C
|
B:GLY45
|
3.8
|
16.8
|
1.0
|
CE
|
B:MET121
|
3.8
|
27.9
|
1.0
|
N
|
B:HIS46
|
4.1
|
19.4
|
1.0
|
CB
|
B:ASN114
|
4.1
|
19.9
|
1.0
|
NE2
|
B:HIS46
|
4.1
|
19.2
|
1.0
|
CD2
|
B:HIS46
|
4.3
|
10.4
|
1.0
|
NE2
|
B:HIS117
|
4.3
|
25.4
|
1.0
|
CD2
|
B:HIS117
|
4.3
|
23.5
|
1.0
|
N
|
B:SER47
|
4.5
|
24.6
|
1.0
|
C
|
B:HIS46
|
4.5
|
15.4
|
1.0
|
CG
|
B:MET121
|
4.7
|
15.6
|
1.0
|
CA
|
B:CYS112
|
4.8
|
23.5
|
1.0
|
CG
|
B:ASN114
|
5.0
|
22.9
|
1.0
|
CB
|
B:MET121
|
5.0
|
21.5
|
1.0
|
|
Copper binding site 3 out
of 4 in 3jtb
Go back to
Copper Binding Sites List in 3jtb
Copper binding site 3 out
of 4 in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 3 of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cu129
b:26.1
occ:1.00
|
ND1
|
C:HIS46
|
2.0
|
23.3
|
1.0
|
CE
|
C:MET121
|
2.1
|
40.0
|
1.0
|
SG
|
C:CYS112
|
2.2
|
19.9
|
1.0
|
ND1
|
C:HIS117
|
2.2
|
24.5
|
1.0
|
CE1
|
C:HIS46
|
2.4
|
34.5
|
1.0
|
O
|
C:GLY45
|
2.8
|
31.3
|
1.0
|
CG
|
C:HIS46
|
2.8
|
33.6
|
1.0
|
SD
|
C:MET121
|
3.1
|
23.8
|
1.0
|
CG
|
C:HIS117
|
3.1
|
39.9
|
1.0
|
CB
|
C:CYS112
|
3.1
|
22.4
|
1.0
|
CE1
|
C:HIS117
|
3.3
|
22.3
|
1.0
|
NE2
|
C:HIS46
|
3.3
|
30.6
|
1.0
|
CB
|
C:HIS117
|
3.3
|
37.0
|
1.0
|
CA
|
C:HIS46
|
3.4
|
38.9
|
1.0
|
CD2
|
C:HIS46
|
3.5
|
37.9
|
1.0
|
CB
|
C:HIS46
|
3.6
|
35.8
|
1.0
|
C
|
C:GLY45
|
3.8
|
24.2
|
1.0
|
CB
|
C:ASN114
|
4.0
|
21.1
|
1.0
|
N
|
C:HIS46
|
4.1
|
35.9
|
1.0
|
CD2
|
C:HIS117
|
4.3
|
36.2
|
1.0
|
NE2
|
C:HIS117
|
4.4
|
31.1
|
1.0
|
N
|
C:SER47
|
4.5
|
40.5
|
1.0
|
C
|
C:HIS46
|
4.5
|
39.0
|
1.0
|
CA
|
C:CYS112
|
4.6
|
30.8
|
1.0
|
CG
|
C:MET121
|
4.6
|
26.8
|
1.0
|
CA
|
C:HIS117
|
4.8
|
29.7
|
1.0
|
N
|
C:ASN114
|
4.8
|
27.1
|
1.0
|
CB
|
C:MET121
|
4.9
|
22.8
|
1.0
|
CG
|
C:ASN114
|
4.9
|
25.9
|
1.0
|
|
Copper binding site 4 out
of 4 in 3jtb
Go back to
Copper Binding Sites List in 3jtb
Copper binding site 4 out
of 4 in the Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cu129
b:23.7
occ:1.00
|
ND1
|
D:HIS46
|
2.1
|
17.3
|
1.0
|
ND1
|
D:HIS117
|
2.3
|
22.9
|
1.0
|
SG
|
D:CYS112
|
2.3
|
23.0
|
1.0
|
O
|
D:GLY45
|
2.8
|
40.6
|
1.0
|
CE1
|
D:HIS46
|
3.1
|
24.9
|
1.0
|
CG
|
D:HIS46
|
3.1
|
24.3
|
1.0
|
CE1
|
D:HIS117
|
3.2
|
25.5
|
1.0
|
SD
|
D:MET121
|
3.2
|
23.3
|
1.0
|
CA
|
D:HIS46
|
3.3
|
21.5
|
1.0
|
CG
|
D:HIS117
|
3.3
|
26.6
|
1.0
|
CE
|
D:MET121
|
3.4
|
45.3
|
1.0
|
CB
|
D:HIS46
|
3.4
|
26.4
|
1.0
|
CB
|
D:CYS112
|
3.5
|
25.1
|
1.0
|
CB
|
D:HIS117
|
3.6
|
29.7
|
1.0
|
C
|
D:GLY45
|
3.7
|
30.4
|
1.0
|
N
|
D:HIS46
|
3.9
|
23.8
|
1.0
|
CB
|
D:ASN114
|
4.0
|
22.7
|
1.0
|
NE2
|
D:HIS46
|
4.2
|
22.5
|
1.0
|
CD2
|
D:HIS46
|
4.2
|
23.8
|
1.0
|
NE2
|
D:HIS117
|
4.3
|
22.8
|
1.0
|
CD2
|
D:HIS117
|
4.4
|
28.3
|
1.0
|
N
|
D:SER47
|
4.5
|
21.6
|
1.0
|
C
|
D:HIS46
|
4.5
|
20.7
|
1.0
|
CG
|
D:MET121
|
4.8
|
21.9
|
1.0
|
CA
|
D:CYS112
|
4.8
|
23.8
|
1.0
|
CG
|
D:ASN114
|
4.9
|
28.2
|
1.0
|
N
|
D:ASN114
|
4.9
|
24.7
|
1.0
|
|
Reference:
N.M.Marshall,
D.K.Garner,
T.D.Wilson,
Y.G.Gao,
H.Robinson,
M.J.Nilges,
Y.Lu.
Rationally Tuning the Reduction Potential of A Single Cupredoxin Beyond the Natural Range. Nature V. 462 113 2009.
ISSN: ISSN 0028-0836
PubMed: 19890331
DOI: 10.1038/NATURE08551
Page generated: Wed Jul 31 01:12:59 2024
|