Cobalt in PDB 4keu: Crystal Structure of Ssopox W263M
Enzymatic activity of Crystal Structure of Ssopox W263M
All present enzymatic activity of Crystal Structure of Ssopox W263M:
3.1.8.1;
Protein crystallography data
The structure of Crystal Structure of Ssopox W263M, PDB code: 4keu
was solved by
G.Gotthard,
J.Hiblot,
E.Chabriere,
M.Elias,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.14 /
2.20
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
86.820,
103.880,
151.610,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17 /
21.5
|
Other elements in 4keu:
The structure of Crystal Structure of Ssopox W263M also contains other interesting chemical elements:
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Crystal Structure of Ssopox W263M
(pdb code 4keu). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the
Crystal Structure of Ssopox W263M, PDB code: 4keu:
Jump to Cobalt binding site number:
1;
2;
3;
4;
Cobalt binding site 1 out
of 4 in 4keu
Go back to
Cobalt Binding Sites List in 4keu
Cobalt binding site 1 out
of 4 in the Crystal Structure of Ssopox W263M
![](/pictures/CO/pdb/ke/4keu-CO-sphere_01.jpg) Mono view
![](/pictures/CO/pdb/ke/4keu-CO-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Crystal Structure of Ssopox W263M within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co402
b:21.7
occ:1.00
|
OQ2
|
A:KCX137
|
1.9
|
18.4
|
1.0
|
NE2
|
A:HIS199
|
1.9
|
23.5
|
1.0
|
ND1
|
A:HIS170
|
2.0
|
19.7
|
1.0
|
O
|
A:HOH580
|
2.0
|
22.2
|
1.0
|
CE1
|
A:HIS199
|
2.9
|
22.9
|
1.0
|
CE1
|
A:HIS170
|
2.9
|
22.9
|
1.0
|
CD2
|
A:HIS199
|
3.0
|
23.0
|
1.0
|
CX
|
A:KCX137
|
3.0
|
20.6
|
1.0
|
CG
|
A:HIS170
|
3.0
|
22.5
|
1.0
|
OQ1
|
A:KCX137
|
3.4
|
21.3
|
1.0
|
CB
|
A:HIS170
|
3.4
|
22.1
|
1.0
|
FE
|
A:FE2401
|
3.4
|
18.9
|
1.0
|
NH2
|
A:ARG223
|
3.8
|
25.2
|
1.0
|
CE1
|
A:HIS22
|
4.0
|
20.2
|
1.0
|
ND1
|
A:HIS199
|
4.0
|
22.8
|
1.0
|
OD2
|
A:ASP256
|
4.1
|
23.6
|
1.0
|
NE2
|
A:HIS170
|
4.1
|
25.0
|
1.0
|
CG
|
A:HIS199
|
4.1
|
22.6
|
1.0
|
OH
|
A:TYR97
|
4.1
|
34.1
|
1.0
|
NE2
|
A:HIS22
|
4.1
|
21.4
|
1.0
|
CD2
|
A:HIS170
|
4.1
|
23.6
|
1.0
|
CE2
|
A:TYR97
|
4.2
|
24.7
|
1.0
|
NZ
|
A:KCX137
|
4.2
|
19.9
|
1.0
|
CA
|
A:HIS170
|
4.2
|
22.4
|
1.0
|
CZ
|
A:ARG223
|
4.5
|
25.8
|
1.0
|
OD1
|
A:ASP256
|
4.6
|
23.0
|
1.0
|
CE
|
A:KCX137
|
4.7
|
20.6
|
1.0
|
CG
|
A:ASP256
|
4.7
|
22.3
|
1.0
|
CZ
|
A:TYR97
|
4.7
|
27.2
|
1.0
|
NE
|
A:ARG223
|
4.7
|
25.0
|
1.0
|
|
Cobalt binding site 2 out
of 4 in 4keu
Go back to
Cobalt Binding Sites List in 4keu
Cobalt binding site 2 out
of 4 in the Crystal Structure of Ssopox W263M
![](/pictures/CO/pdb/ke/4keu-CO-sphere_02.jpg) Mono view
![](/pictures/CO/pdb/ke/4keu-CO-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Crystal Structure of Ssopox W263M within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co403
b:25.0
occ:1.00
|
OQ1
|
B:KCX137
|
1.8
|
20.7
|
1.0
|
NE2
|
B:HIS199
|
1.9
|
24.2
|
1.0
|
ND1
|
B:HIS170
|
1.9
|
24.6
|
1.0
|
O
|
B:HOH582
|
2.2
|
25.7
|
1.0
|
CE1
|
B:HIS199
|
2.9
|
23.4
|
1.0
|
CE1
|
B:HIS170
|
2.9
|
28.6
|
1.0
|
CX
|
B:KCX137
|
2.9
|
21.2
|
1.0
|
CD2
|
B:HIS199
|
3.0
|
24.3
|
1.0
|
CG
|
B:HIS170
|
3.0
|
25.8
|
1.0
|
OQ2
|
B:KCX137
|
3.3
|
22.1
|
1.0
|
FE
|
B:FE2402
|
3.4
|
21.6
|
1.0
|
CB
|
B:HIS170
|
3.4
|
23.1
|
1.0
|
NH2
|
B:ARG223
|
3.9
|
29.5
|
1.0
|
CE1
|
B:HIS22
|
4.0
|
21.4
|
1.0
|
NE2
|
B:HIS170
|
4.0
|
29.3
|
1.0
|
ND1
|
B:HIS199
|
4.1
|
22.6
|
1.0
|
NZ
|
B:KCX137
|
4.1
|
21.8
|
1.0
|
NE2
|
B:HIS22
|
4.1
|
23.4
|
1.0
|
OD2
|
B:ASP256
|
4.1
|
27.9
|
1.0
|
CD2
|
B:HIS170
|
4.1
|
26.5
|
1.0
|
CE2
|
B:TYR97
|
4.1
|
25.4
|
1.0
|
CG
|
B:HIS199
|
4.1
|
22.9
|
1.0
|
OH
|
B:TYR97
|
4.2
|
31.3
|
1.0
|
CA
|
B:HIS170
|
4.3
|
24.7
|
1.0
|
OD1
|
B:ASP256
|
4.5
|
23.8
|
1.0
|
CZ
|
B:ARG223
|
4.5
|
26.6
|
1.0
|
CE
|
B:KCX137
|
4.6
|
20.7
|
1.0
|
CG
|
B:ASP256
|
4.6
|
26.5
|
1.0
|
CZ
|
B:TYR97
|
4.7
|
31.6
|
1.0
|
NE
|
B:ARG223
|
4.8
|
27.8
|
1.0
|
|
Cobalt binding site 3 out
of 4 in 4keu
Go back to
Cobalt Binding Sites List in 4keu
Cobalt binding site 3 out
of 4 in the Crystal Structure of Ssopox W263M
![](/pictures/CO/pdb/ke/4keu-CO-sphere_03.jpg) Mono view
![](/pictures/CO/pdb/ke/4keu-CO-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Crystal Structure of Ssopox W263M within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co402
b:30.7
occ:1.00
|
OQ1
|
C:KCX137
|
1.8
|
28.7
|
1.0
|
O
|
C:HOH573
|
1.9
|
28.5
|
1.0
|
ND1
|
C:HIS170
|
1.9
|
31.3
|
1.0
|
NE2
|
C:HIS199
|
1.9
|
33.1
|
1.0
|
CE1
|
C:HIS199
|
2.8
|
30.0
|
1.0
|
CE1
|
C:HIS170
|
2.9
|
28.4
|
1.0
|
CX
|
C:KCX137
|
3.0
|
25.5
|
1.0
|
CG
|
C:HIS170
|
3.0
|
28.8
|
1.0
|
CD2
|
C:HIS199
|
3.0
|
28.4
|
1.0
|
OQ2
|
C:KCX137
|
3.4
|
24.4
|
1.0
|
CB
|
C:HIS170
|
3.4
|
25.8
|
1.0
|
FE
|
C:FE2401
|
3.5
|
22.7
|
1.0
|
NH2
|
C:ARG223
|
3.6
|
31.3
|
1.0
|
OD2
|
C:ASP256
|
3.9
|
34.2
|
1.0
|
ND1
|
C:HIS199
|
4.0
|
29.7
|
1.0
|
NE2
|
C:HIS170
|
4.0
|
30.9
|
1.0
|
CE1
|
C:HIS22
|
4.1
|
20.0
|
1.0
|
CG
|
C:HIS199
|
4.1
|
29.6
|
1.0
|
CD2
|
C:HIS170
|
4.1
|
28.3
|
1.0
|
NZ
|
C:KCX137
|
4.1
|
27.2
|
1.0
|
CE2
|
C:TYR97
|
4.2
|
25.6
|
1.0
|
NE2
|
C:HIS22
|
4.2
|
22.4
|
1.0
|
CA
|
C:HIS170
|
4.2
|
28.7
|
1.0
|
OH
|
C:TYR97
|
4.3
|
32.5
|
1.0
|
CZ
|
C:ARG223
|
4.4
|
33.3
|
1.0
|
CG
|
C:ASP256
|
4.6
|
31.4
|
1.0
|
CE
|
C:KCX137
|
4.6
|
29.0
|
1.0
|
OD1
|
C:ASP256
|
4.6
|
29.1
|
1.0
|
NE
|
C:ARG223
|
4.7
|
36.1
|
1.0
|
CZ
|
C:TYR97
|
4.7
|
28.5
|
1.0
|
|
Cobalt binding site 4 out
of 4 in 4keu
Go back to
Cobalt Binding Sites List in 4keu
Cobalt binding site 4 out
of 4 in the Crystal Structure of Ssopox W263M
![](/pictures/CO/pdb/ke/4keu-CO-sphere_04.jpg) Mono view
![](/pictures/CO/pdb/ke/4keu-CO-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Crystal Structure of Ssopox W263M within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Co402
b:24.6
occ:1.00
|
OQ2
|
D:KCX137
|
1.8
|
22.2
|
1.0
|
NE2
|
D:HIS199
|
1.9
|
23.2
|
1.0
|
ND1
|
D:HIS170
|
2.0
|
24.6
|
1.0
|
O
|
D:HOH581
|
2.0
|
19.8
|
1.0
|
CE1
|
D:HIS199
|
2.9
|
21.9
|
1.0
|
CE1
|
D:HIS170
|
2.9
|
24.0
|
1.0
|
CX
|
D:KCX137
|
2.9
|
24.7
|
1.0
|
CG
|
D:HIS170
|
3.0
|
23.8
|
1.0
|
CD2
|
D:HIS199
|
3.0
|
21.4
|
1.0
|
OQ1
|
D:KCX137
|
3.3
|
25.1
|
1.0
|
CB
|
D:HIS170
|
3.5
|
23.3
|
1.0
|
FE
|
D:FE2401
|
3.5
|
23.6
|
1.0
|
NH2
|
D:ARG223
|
3.7
|
26.5
|
1.0
|
CE1
|
D:HIS22
|
4.0
|
22.7
|
1.0
|
NE2
|
D:HIS170
|
4.0
|
29.9
|
1.0
|
OD2
|
D:ASP256
|
4.1
|
28.3
|
1.0
|
ND1
|
D:HIS199
|
4.1
|
23.4
|
1.0
|
NZ
|
D:KCX137
|
4.1
|
23.9
|
1.0
|
NE2
|
D:HIS22
|
4.1
|
24.8
|
1.0
|
CD2
|
D:HIS170
|
4.1
|
27.2
|
1.0
|
CE2
|
D:TYR97
|
4.1
|
31.4
|
1.0
|
CG
|
D:HIS199
|
4.2
|
22.2
|
1.0
|
CA
|
D:HIS170
|
4.3
|
24.3
|
1.0
|
OH
|
D:TYR97
|
4.3
|
36.4
|
1.0
|
CZ
|
D:ARG223
|
4.4
|
27.3
|
1.0
|
NE
|
D:ARG223
|
4.6
|
26.5
|
1.0
|
OD1
|
D:ASP256
|
4.6
|
23.7
|
1.0
|
CE
|
D:KCX137
|
4.6
|
25.6
|
1.0
|
CG
|
D:ASP256
|
4.7
|
25.6
|
1.0
|
CZ
|
D:TYR97
|
4.7
|
37.4
|
1.0
|
|
Reference:
J.Hiblot,
G.Gotthard,
M.Elias,
E.Chabriere.
Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase Ssopox. Plos One V. 8 75272 2013.
ISSN: ESSN 1932-6203
PubMed: 24086491
DOI: 10.1371/JOURNAL.PONE.0075272
Page generated: Tue Jul 30 17:16:10 2024
|