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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:

Iron (Fe) 4 atoms

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: Sun Dec 13 10:48:48 2020

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