Cobalt in PDB 5vri: Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form
Enzymatic activity of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form
All present enzymatic activity of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form:
3.1.8.1;
Protein crystallography data
The structure of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form, PDB code: 5vri
was solved by
J.Hiblot,
G.Gotthard,
P.Jacquet,
D.Daude,
C.Bergonzi,
E.Chabriere,
M.Elias,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.71 /
2.15
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
87.170,
103.610,
152.610,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.2 /
21.4
|
Other elements in 5vri:
The structure of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form also contains other interesting chemical elements:
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form
(pdb code 5vri). 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 ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form, PDB code: 5vri:
Jump to Cobalt binding site number:
1;
2;
3;
4;
Cobalt binding site 1 out
of 4 in 5vri
Go back to
Cobalt Binding Sites List in 5vri
Cobalt binding site 1 out
of 4 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co401
b:12.1
occ:1.00
|
O
|
A:HOH530
|
1.7
|
13.7
|
1.0
|
OQ2
|
A:KCX137
|
1.7
|
13.6
|
1.0
|
ND1
|
A:HIS170
|
1.8
|
17.4
|
1.0
|
NE2
|
A:HIS199
|
1.8
|
16.5
|
1.0
|
CE1
|
A:HIS170
|
2.7
|
17.9
|
1.0
|
CE1
|
A:HIS199
|
2.7
|
15.7
|
1.0
|
CX
|
A:KCX137
|
2.9
|
13.0
|
1.0
|
CG
|
A:HIS170
|
2.9
|
16.7
|
1.0
|
CD2
|
A:HIS199
|
2.9
|
15.2
|
1.0
|
OQ1
|
A:KCX137
|
3.2
|
13.7
|
1.0
|
O
|
A:HOH630
|
3.4
|
27.6
|
1.0
|
FE
|
A:FE402
|
3.4
|
8.4
|
1.0
|
CB
|
A:HIS170
|
3.4
|
16.3
|
1.0
|
NH1
|
A:ARG223
|
3.8
|
16.9
|
1.0
|
NE2
|
A:HIS170
|
3.9
|
17.4
|
1.0
|
CE1
|
A:HIS22
|
3.9
|
15.9
|
1.0
|
ND1
|
A:HIS199
|
3.9
|
14.6
|
1.0
|
CD2
|
A:HIS170
|
4.0
|
17.0
|
1.0
|
CG
|
A:HIS199
|
4.0
|
15.5
|
1.0
|
OD2
|
A:ASP256
|
4.0
|
14.3
|
1.0
|
NZ
|
A:KCX137
|
4.0
|
13.0
|
1.0
|
NE2
|
A:HIS22
|
4.1
|
15.4
|
1.0
|
CE2
|
A:TYR97
|
4.2
|
16.3
|
1.0
|
CA
|
A:HIS170
|
4.2
|
17.6
|
1.0
|
OH
|
A:TYR97
|
4.3
|
18.9
|
1.0
|
CZ
|
A:ARG223
|
4.5
|
16.2
|
1.0
|
CE
|
A:KCX137
|
4.6
|
13.3
|
1.0
|
OD1
|
A:ASP256
|
4.6
|
13.7
|
1.0
|
CG
|
A:ASP256
|
4.7
|
14.7
|
1.0
|
NE
|
A:ARG223
|
4.7
|
14.4
|
1.0
|
CZ
|
A:TYR97
|
4.8
|
18.6
|
1.0
|
|
Cobalt binding site 2 out
of 4 in 5vri
Go back to
Cobalt Binding Sites List in 5vri
Cobalt binding site 2 out
of 4 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co401
b:13.9
occ:1.00
|
O
|
B:HOH523
|
1.7
|
12.5
|
1.0
|
OQ1
|
B:KCX137
|
1.7
|
14.4
|
1.0
|
ND1
|
B:HIS170
|
1.8
|
18.1
|
1.0
|
NE2
|
B:HIS199
|
1.8
|
15.1
|
1.0
|
CE1
|
B:HIS199
|
2.7
|
15.3
|
1.0
|
CE1
|
B:HIS170
|
2.7
|
20.2
|
1.0
|
CX
|
B:KCX137
|
2.8
|
13.6
|
1.0
|
CG
|
B:HIS170
|
2.9
|
17.2
|
1.0
|
CD2
|
B:HIS199
|
2.9
|
13.2
|
1.0
|
OQ2
|
B:KCX137
|
3.1
|
13.7
|
1.0
|
CB
|
B:HIS170
|
3.4
|
16.5
|
1.0
|
O
|
B:HOH518
|
3.4
|
26.5
|
1.0
|
FE
|
B:FE402
|
3.5
|
10.9
|
1.0
|
NH2
|
B:ARG223
|
3.8
|
16.5
|
1.0
|
NE2
|
B:HIS170
|
3.9
|
17.3
|
1.0
|
ND1
|
B:HIS199
|
3.9
|
14.8
|
1.0
|
CE1
|
B:HIS22
|
3.9
|
14.2
|
1.0
|
CD2
|
B:HIS170
|
4.0
|
17.7
|
1.0
|
NZ
|
B:KCX137
|
4.0
|
14.1
|
1.0
|
CG
|
B:HIS199
|
4.0
|
15.1
|
1.0
|
NE2
|
B:HIS22
|
4.2
|
15.2
|
1.0
|
CA
|
B:HIS170
|
4.2
|
15.7
|
1.0
|
CE2
|
B:TYR97
|
4.2
|
18.1
|
1.0
|
OD2
|
B:ASP256
|
4.2
|
14.4
|
1.0
|
OH
|
B:TYR97
|
4.2
|
23.4
|
1.0
|
CZ
|
B:ARG223
|
4.4
|
16.7
|
1.0
|
CE
|
B:KCX137
|
4.6
|
14.9
|
1.0
|
OD1
|
B:ASP256
|
4.6
|
14.4
|
1.0
|
NE
|
B:ARG223
|
4.7
|
16.6
|
1.0
|
CG
|
B:ASP256
|
4.7
|
16.6
|
1.0
|
CZ
|
B:TYR97
|
4.7
|
19.7
|
1.0
|
|
Cobalt binding site 3 out
of 4 in 5vri
Go back to
Cobalt Binding Sites List in 5vri
Cobalt binding site 3 out
of 4 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co401
b:12.0
occ:1.00
|
O
|
C:HOH506
|
1.7
|
14.8
|
1.0
|
OQ1
|
C:KCX137
|
1.7
|
15.2
|
1.0
|
ND1
|
C:HIS170
|
1.8
|
15.8
|
1.0
|
NE2
|
C:HIS199
|
1.8
|
17.0
|
1.0
|
CE1
|
C:HIS170
|
2.7
|
17.0
|
1.0
|
CE1
|
C:HIS199
|
2.7
|
16.7
|
1.0
|
CX
|
C:KCX137
|
2.8
|
15.0
|
1.0
|
CG
|
C:HIS170
|
2.9
|
16.5
|
1.0
|
CD2
|
C:HIS199
|
2.9
|
16.7
|
1.0
|
OQ2
|
C:KCX137
|
3.3
|
14.8
|
1.0
|
CB
|
C:HIS170
|
3.3
|
16.2
|
1.0
|
FE
|
C:FE402
|
3.4
|
9.3
|
1.0
|
O
|
C:HOH599
|
3.4
|
21.4
|
1.0
|
NH2
|
C:ARG223
|
3.8
|
15.7
|
1.0
|
NE2
|
C:HIS170
|
3.9
|
16.5
|
1.0
|
ND1
|
C:HIS199
|
3.9
|
17.0
|
1.0
|
CE1
|
C:HIS22
|
3.9
|
16.0
|
1.0
|
CD2
|
C:HIS170
|
4.0
|
17.0
|
1.0
|
CG
|
C:HIS199
|
4.0
|
16.7
|
1.0
|
NZ
|
C:KCX137
|
4.0
|
15.2
|
1.0
|
OD2
|
C:ASP256
|
4.1
|
17.0
|
1.0
|
CA
|
C:HIS170
|
4.1
|
16.5
|
1.0
|
NE2
|
C:HIS22
|
4.2
|
16.2
|
1.0
|
CE2
|
C:TYR97
|
4.3
|
19.6
|
1.0
|
OH
|
C:TYR97
|
4.4
|
22.7
|
1.0
|
CZ
|
C:ARG223
|
4.5
|
17.3
|
1.0
|
CE
|
C:KCX137
|
4.5
|
15.8
|
1.0
|
OD1
|
C:ASP256
|
4.6
|
14.5
|
1.0
|
CG
|
C:ASP256
|
4.7
|
15.7
|
1.0
|
NE
|
C:ARG223
|
4.7
|
16.1
|
1.0
|
CZ
|
C:TYR97
|
4.8
|
21.8
|
1.0
|
|
Cobalt binding site 4 out
of 4 in 5vri
Go back to
Cobalt Binding Sites List in 5vri
Cobalt binding site 4 out
of 4 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Co401
b:14.0
occ:1.00
|
O
|
D:HOH506
|
1.7
|
13.3
|
1.0
|
OQ1
|
D:KCX137
|
1.8
|
18.8
|
1.0
|
ND1
|
D:HIS170
|
1.8
|
22.4
|
1.0
|
NE2
|
D:HIS199
|
1.8
|
26.7
|
1.0
|
CE1
|
D:HIS199
|
2.7
|
24.3
|
1.0
|
CE1
|
D:HIS170
|
2.8
|
22.2
|
1.0
|
CX
|
D:KCX137
|
2.8
|
16.6
|
1.0
|
CG
|
D:HIS170
|
2.9
|
22.3
|
1.0
|
CD2
|
D:HIS199
|
2.9
|
23.2
|
1.0
|
O
|
D:HOH610
|
3.2
|
25.9
|
1.0
|
OQ2
|
D:KCX137
|
3.3
|
15.4
|
1.0
|
CB
|
D:HIS170
|
3.3
|
21.0
|
1.0
|
FE
|
D:FE402
|
3.5
|
9.3
|
1.0
|
NH2
|
D:ARG223
|
3.9
|
18.9
|
1.0
|
ND1
|
D:HIS199
|
3.9
|
22.2
|
1.0
|
NE2
|
D:HIS170
|
3.9
|
21.9
|
1.0
|
CE1
|
D:HIS22
|
3.9
|
15.3
|
1.0
|
CD2
|
D:HIS170
|
4.0
|
22.2
|
1.0
|
CG
|
D:HIS199
|
4.0
|
23.1
|
1.0
|
NZ
|
D:KCX137
|
4.0
|
17.0
|
1.0
|
CA
|
D:HIS170
|
4.1
|
20.7
|
1.0
|
OD2
|
D:ASP256
|
4.2
|
18.9
|
1.0
|
NE2
|
D:HIS22
|
4.2
|
17.2
|
1.0
|
CE2
|
D:TYR97
|
4.3
|
23.1
|
1.0
|
OH
|
D:TYR97
|
4.5
|
24.5
|
1.0
|
CZ
|
D:ARG223
|
4.5
|
19.8
|
1.0
|
CE
|
D:KCX137
|
4.6
|
19.0
|
1.0
|
OD1
|
D:ASP256
|
4.6
|
16.4
|
1.0
|
CG
|
D:ASP256
|
4.7
|
19.4
|
1.0
|
NE
|
D:ARG223
|
4.8
|
20.4
|
1.0
|
CZ
|
D:TYR97
|
4.9
|
24.1
|
1.0
|
|
Reference:
P.Jacquet,
J.Hiblot,
D.Daude,
C.Bergonzi,
G.Gotthard,
N.Armstrong,
E.Chabriere,
M.Elias.
Rational Engineering of A Native Hyperthermostable Lactonase Into A Broad Spectrum Phosphotriesterase. Sci Rep V. 7 16745 2017.
ISSN: ESSN 2045-2322
PubMed: 29196634
DOI: 10.1038/S41598-017-16841-0
Page generated: Tue Jul 30 18:16:36 2024
|