Copper in PDB 3kh4: Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
Enzymatic activity of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
All present enzymatic activity of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit:
1.15.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit, PDB code: 3kh4
was solved by
E.M.Gazdag,
W.Blankenfeldt,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.69 /
3.50
|
Space group
|
P 65 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
112.188,
112.188,
428.268,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
20.1 /
20.8
|
Other elements in 3kh4:
The structure of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit also contains other interesting chemical elements:
Copper Binding Sites:
The binding sites of Copper atom in the Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
(pdb code 3kh4). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the
Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit, PDB code: 3kh4:
Jump to Copper binding site number:
1;
2;
3;
4;
5;
6;
Copper binding site 1 out
of 6 in 3kh4
Go back to
Copper Binding Sites List in 3kh4
Copper binding site 1 out
of 6 in the Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 1 of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu154
b:1.0
occ:1.00
|
NE2
|
A:HIS120
|
2.1
|
72.2
|
1.0
|
ND1
|
A:HIS46
|
2.1
|
70.1
|
1.0
|
NE2
|
A:HIS48
|
2.4
|
71.5
|
1.0
|
NE2
|
A:HIS63
|
2.7
|
80.7
|
1.0
|
CE1
|
A:HIS120
|
2.8
|
74.8
|
1.0
|
CE1
|
A:HIS48
|
3.0
|
73.5
|
1.0
|
CE1
|
A:HIS46
|
3.0
|
72.2
|
1.0
|
CG
|
A:HIS46
|
3.1
|
67.6
|
1.0
|
CD2
|
A:HIS120
|
3.2
|
70.4
|
1.0
|
CE1
|
A:HIS63
|
3.4
|
79.4
|
1.0
|
CD2
|
A:HIS63
|
3.4
|
80.2
|
1.0
|
CB
|
A:HIS46
|
3.5
|
65.5
|
1.0
|
CD2
|
A:HIS48
|
3.6
|
70.7
|
1.0
|
ND1
|
A:HIS120
|
3.9
|
73.9
|
1.0
|
CG
|
A:HIS120
|
4.1
|
70.3
|
1.0
|
NE2
|
A:HIS46
|
4.1
|
71.3
|
1.0
|
ND1
|
A:HIS48
|
4.2
|
73.0
|
1.0
|
CD2
|
A:HIS46
|
4.2
|
70.2
|
1.0
|
ND1
|
A:HIS63
|
4.2
|
78.6
|
1.0
|
CG
|
A:HIS63
|
4.3
|
78.0
|
1.0
|
CG
|
A:HIS48
|
4.5
|
70.7
|
1.0
|
CA
|
A:HIS46
|
4.8
|
64.3
|
1.0
|
N
|
A:HIS46
|
4.8
|
63.5
|
1.0
|
CB
|
A:VAL118
|
4.9
|
64.4
|
1.0
|
CG1
|
A:VAL118
|
4.9
|
65.5
|
1.0
|
|
Copper binding site 2 out
of 6 in 3kh4
Go back to
Copper Binding Sites List in 3kh4
Copper binding site 2 out
of 6 in the Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 2 of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cu154
b:0.4
occ:1.00
|
NE2
|
B:HIS120
|
2.2
|
77.2
|
1.0
|
NE2
|
B:HIS48
|
2.4
|
75.0
|
1.0
|
CE1
|
B:HIS120
|
2.5
|
80.0
|
1.0
|
ND1
|
B:HIS46
|
2.6
|
75.8
|
1.0
|
NE2
|
B:HIS63
|
2.7
|
87.0
|
1.0
|
CE1
|
B:HIS48
|
2.7
|
76.9
|
1.0
|
CD2
|
B:HIS63
|
3.3
|
85.7
|
1.0
|
CD2
|
B:HIS120
|
3.4
|
75.4
|
1.0
|
CE1
|
B:HIS46
|
3.4
|
78.8
|
1.0
|
CE1
|
B:HIS63
|
3.5
|
86.0
|
1.0
|
CG
|
B:HIS46
|
3.6
|
73.0
|
1.0
|
CD2
|
B:HIS48
|
3.7
|
73.4
|
1.0
|
ND1
|
B:HIS120
|
3.7
|
79.5
|
1.0
|
ND1
|
B:HIS48
|
4.0
|
75.6
|
1.0
|
CB
|
B:HIS46
|
4.0
|
69.8
|
1.0
|
CG
|
B:HIS120
|
4.1
|
75.7
|
1.0
|
CG
|
B:HIS63
|
4.3
|
83.3
|
1.0
|
ND1
|
B:HIS63
|
4.4
|
84.6
|
1.0
|
CG
|
B:HIS48
|
4.5
|
72.7
|
1.0
|
NE2
|
B:HIS46
|
4.5
|
78.3
|
1.0
|
CD2
|
B:HIS46
|
4.7
|
76.4
|
1.0
|
CG1
|
B:VAL118
|
5.0
|
67.6
|
1.0
|
NE
|
B:ARG143
|
5.0
|
87.3
|
1.0
|
|
Copper binding site 3 out
of 6 in 3kh4
Go back to
Copper Binding Sites List in 3kh4
Copper binding site 3 out
of 6 in the Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 3 of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cu154
b:0.7
occ:1.00
|
NE2
|
C:HIS120
|
2.2
|
86.3
|
1.0
|
NE2
|
C:HIS48
|
2.4
|
84.5
|
1.0
|
ND1
|
C:HIS46
|
2.4
|
83.5
|
1.0
|
NE2
|
C:HIS63
|
2.6
|
93.8
|
1.0
|
CE1
|
C:HIS120
|
2.7
|
88.9
|
1.0
|
CE1
|
C:HIS48
|
2.8
|
86.4
|
1.0
|
CE1
|
C:HIS46
|
3.2
|
85.8
|
1.0
|
CD2
|
C:HIS120
|
3.3
|
84.8
|
1.0
|
CD2
|
C:HIS63
|
3.3
|
93.2
|
1.0
|
CE1
|
C:HIS63
|
3.4
|
92.5
|
1.0
|
CG
|
C:HIS46
|
3.4
|
80.9
|
1.0
|
CD2
|
C:HIS48
|
3.6
|
83.4
|
1.0
|
CB
|
C:HIS46
|
3.8
|
78.7
|
1.0
|
ND1
|
C:HIS120
|
3.8
|
88.6
|
1.0
|
ND1
|
C:HIS48
|
4.0
|
85.6
|
1.0
|
CG
|
C:HIS120
|
4.2
|
85.0
|
1.0
|
CG
|
C:HIS63
|
4.2
|
90.9
|
1.0
|
ND1
|
C:HIS63
|
4.2
|
91.5
|
1.0
|
NE2
|
C:HIS46
|
4.3
|
84.9
|
1.0
|
CG
|
C:HIS48
|
4.4
|
83.0
|
1.0
|
CD2
|
C:HIS46
|
4.4
|
83.7
|
1.0
|
CB
|
C:VAL118
|
5.0
|
77.8
|
1.0
|
CG1
|
C:VAL118
|
5.0
|
79.3
|
1.0
|
|
Copper binding site 4 out
of 6 in 3kh4
Go back to
Copper Binding Sites List in 3kh4
Copper binding site 4 out
of 6 in the Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cu154
b:0.5
occ:1.00
|
NE2
|
D:HIS120
|
2.1
|
79.8
|
1.0
|
ND1
|
D:HIS46
|
2.1
|
76.3
|
1.0
|
NE2
|
D:HIS48
|
2.6
|
77.8
|
1.0
|
CE1
|
D:HIS120
|
2.6
|
82.9
|
1.0
|
NE2
|
D:HIS63
|
2.7
|
86.9
|
1.0
|
CE1
|
D:HIS46
|
2.9
|
78.8
|
1.0
|
CE1
|
D:HIS48
|
3.0
|
80.0
|
1.0
|
CD2
|
D:HIS120
|
3.1
|
78.1
|
1.0
|
CG
|
D:HIS46
|
3.2
|
73.4
|
1.0
|
CE1
|
D:HIS63
|
3.4
|
85.1
|
1.0
|
CD2
|
D:HIS63
|
3.4
|
86.2
|
1.0
|
CB
|
D:HIS46
|
3.7
|
70.8
|
1.0
|
ND1
|
D:HIS120
|
3.7
|
82.9
|
1.0
|
CD2
|
D:HIS48
|
3.7
|
76.5
|
1.0
|
CG
|
D:HIS120
|
4.0
|
78.9
|
1.0
|
NE2
|
D:HIS46
|
4.1
|
77.7
|
1.0
|
CD2
|
D:HIS46
|
4.2
|
76.0
|
1.0
|
ND1
|
D:HIS48
|
4.2
|
79.2
|
1.0
|
ND1
|
D:HIS63
|
4.3
|
83.9
|
1.0
|
CG
|
D:HIS63
|
4.3
|
83.5
|
1.0
|
CG
|
D:HIS48
|
4.6
|
76.4
|
1.0
|
CA
|
D:HIS46
|
4.9
|
69.4
|
1.0
|
N
|
D:HIS46
|
5.0
|
68.9
|
1.0
|
CG1
|
D:VAL118
|
5.0
|
72.7
|
1.0
|
O
|
D:THR137
|
5.0
|
83.9
|
1.0
|
|
Copper binding site 5 out
of 6 in 3kh4
Go back to
Copper Binding Sites List in 3kh4
Copper binding site 5 out
of 6 in the Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 5 of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cu154
b:0.3
occ:1.00
|
NE2
|
E:HIS120
|
2.2
|
82.0
|
1.0
|
NE2
|
E:HIS48
|
2.3
|
80.8
|
1.0
|
ND1
|
E:HIS46
|
2.4
|
79.1
|
1.0
|
NE2
|
E:HIS63
|
2.7
|
92.8
|
1.0
|
CE1
|
E:HIS120
|
2.7
|
85.7
|
1.0
|
CE1
|
E:HIS48
|
2.7
|
84.0
|
1.0
|
CE1
|
E:HIS46
|
3.2
|
81.5
|
1.0
|
CD2
|
E:HIS63
|
3.3
|
92.7
|
1.0
|
CD2
|
E:HIS120
|
3.3
|
79.3
|
1.0
|
CG
|
E:HIS46
|
3.4
|
75.8
|
1.0
|
CE1
|
E:HIS63
|
3.4
|
90.8
|
1.0
|
CD2
|
E:HIS48
|
3.5
|
79.2
|
1.0
|
CB
|
E:HIS46
|
3.7
|
73.0
|
1.0
|
ND1
|
E:HIS120
|
3.9
|
85.0
|
1.0
|
ND1
|
E:HIS48
|
3.9
|
83.2
|
1.0
|
CG
|
E:HIS120
|
4.2
|
80.1
|
1.0
|
CG
|
E:HIS63
|
4.2
|
90.2
|
1.0
|
ND1
|
E:HIS63
|
4.2
|
90.1
|
1.0
|
CG
|
E:HIS48
|
4.3
|
79.6
|
1.0
|
NE2
|
E:HIS46
|
4.3
|
80.3
|
1.0
|
CD2
|
E:HIS46
|
4.4
|
78.5
|
1.0
|
CB
|
E:VAL118
|
4.9
|
71.2
|
1.0
|
CG1
|
E:VAL118
|
4.9
|
73.3
|
1.0
|
CA
|
E:HIS46
|
5.0
|
70.6
|
1.0
|
|
Copper binding site 6 out
of 6 in 3kh4
Go back to
Copper Binding Sites List in 3kh4
Copper binding site 6 out
of 6 in the Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 6 of Crystal Structure of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in Leishmania Tarantolae; P6522 Crystal Form Containing 6 Chains in the Asymmetric Unit within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cu154
b:0.6
occ:1.00
|
NE2
|
F:HIS120
|
2.0
|
73.7
|
1.0
|
ND1
|
F:HIS46
|
2.2
|
71.9
|
1.0
|
NE2
|
F:HIS48
|
2.5
|
72.4
|
1.0
|
CE1
|
F:HIS120
|
2.6
|
75.9
|
1.0
|
NE2
|
F:HIS63
|
2.8
|
81.9
|
1.0
|
CE1
|
F:HIS48
|
3.0
|
74.0
|
1.0
|
CE1
|
F:HIS46
|
3.0
|
74.1
|
1.0
|
CD2
|
F:HIS120
|
3.1
|
72.1
|
1.0
|
CG
|
F:HIS46
|
3.3
|
69.6
|
1.0
|
CE1
|
F:HIS63
|
3.5
|
80.8
|
1.0
|
CD2
|
F:HIS63
|
3.5
|
81.2
|
1.0
|
CD2
|
F:HIS48
|
3.7
|
71.9
|
1.0
|
CB
|
F:HIS46
|
3.7
|
67.5
|
1.0
|
ND1
|
F:HIS120
|
3.7
|
75.1
|
1.0
|
CG
|
F:HIS120
|
4.0
|
71.8
|
1.0
|
NE2
|
F:HIS46
|
4.2
|
73.7
|
1.0
|
ND1
|
F:HIS48
|
4.2
|
73.3
|
1.0
|
CD2
|
F:HIS46
|
4.3
|
72.6
|
1.0
|
ND1
|
F:HIS63
|
4.4
|
79.8
|
1.0
|
CG
|
F:HIS63
|
4.4
|
78.9
|
1.0
|
CG
|
F:HIS48
|
4.6
|
71.3
|
1.0
|
CG1
|
F:VAL118
|
4.9
|
66.3
|
1.0
|
CB
|
F:VAL118
|
4.9
|
65.6
|
1.0
|
CA
|
F:HIS46
|
5.0
|
66.6
|
1.0
|
N
|
F:HIS46
|
5.0
|
65.9
|
1.0
|
|
Reference:
E.M.Gazdag,
I.C.Cirstea,
R.Breitling,
J.Lukes,
W.Blankenfeldt,
K.Alexandrov.
Purification and Crystallization of Human Cu/Zn Superoxide Dismutase Recombinantly Produced in the Protozoan Leishmania Tarentolae. Acta Crystallogr.,Sect.F V. 66 871 2010.
ISSN: ESSN 1744-3091
PubMed: 20693657
DOI: 10.1107/S1744309110019330
Page generated: Wed Jul 31 01:14:09 2024
|