Cobalt in PDB 5vrk: Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Open Form

All present enzymatic activity of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Open Form:
3.1.8.1;

The structure of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Open Form, PDB code: 5vrk 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)	45.97 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.280, 137.200, 49.360, 90.00, 98.70, 90.00
R / Rfree (%)	13.9 / 17.5

The structure of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Open Form also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Cobalt atom in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Open Form (pdb code 5vrk). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Open Form, PDB code: 5vrk:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Open 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) - Open Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:13.6 occ:1.00 O A:HOH516 1.8 14.6 1.0 NE2 A:HIS199 2.0 13.2 1.0 ND1 A:HIS170 2.0 12.1 1.0 OQ2 A:KCX137 2.0 13.7 1.0 O1 A:EDO407 2.7 23.8 1.0 CE1 A:HIS199 2.9 14.8 1.0 CE1 A:HIS170 3.0 14.7 1.0 CX A:KCX137 3.1 13.8 1.0 CG A:HIS170 3.1 13.0 1.0 CD2 A:HIS199 3.1 13.0 1.0 OQ1 A:KCX137 3.4 10.4 1.0 FE A:FE401 3.4 10.5 1.0 CB A:HIS170 3.4 10.8 1.0 C1 A:EDO407 3.6 31.2 1.0 NH2 A:ARG223 3.8 18.1 1.0 CE1 A:HIS22 4.0 11.3 1.0 NE2 A:HIS22 4.1 12.6 1.0 OD2 A:ASP256 4.1 14.5 1.0 ND1 A:HIS199 4.1 12.9 1.0 CE2 A:TYR97 4.1 14.6 1.0 NE2 A:HIS170 4.1 14.2 1.0 CA A:HIS170 4.1 11.1 1.0 OH A:TYR97 4.2 17.1 1.0 CD2 A:HIS170 4.2 13.3 1.0 CG A:HIS199 4.2 13.5 1.0 NZ A:KCX137 4.2 11.5 1.0 CZ A:ARG223 4.4 16.0 1.0 OD1 A:ASP256 4.6 11.1 1.0 CZ A:TYR97 4.6 15.5 1.0 NE A:ARG223 4.7 16.3 1.0 CE A:KCX137 4.7 12.7 1.0 CG A:ASP256 4.7 14.1 1.0 C2 A:EDO407 4.7 29.5 1.0 O A:HOH543 4.7 35.2 1.0 O2 A:EDO407 5.0 21.9 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Open 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) - Open Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Co402 b:13.7 occ:1.00 O B:HOH510 1.8 15.2 1.0 OQ2 B:KCX137 2.0 13.0 1.0 ND1 B:HIS170 2.0 12.0 1.0 NE2 B:HIS199 2.0 11.7 1.0 O1 B:EDO408 2.7 24.2 1.0 CE1 B:HIS170 2.9 14.5 1.0 CE1 B:HIS199 3.0 14.6 1.0 CG B:HIS170 3.0 13.1 1.0 CX B:KCX137 3.1 13.1 1.0 CD2 B:HIS199 3.1 13.0 1.0 OQ1 B:KCX137 3.4 10.2 1.0 FE B:FE401 3.4 10.4 1.0 CB B:HIS170 3.4 11.5 1.0 NH2 B:ARG223 3.8 17.6 1.0 CE1 B:HIS22 4.0 10.7 1.0 CE2 B:TYR97 4.1 14.5 1.0 C1 B:EDO408 4.1 28.5 1.0 OD2 B:ASP256 4.1 14.3 1.0 NE2 B:HIS170 4.1 15.0 1.0 NE2 B:HIS22 4.1 11.8 1.0 ND1 B:HIS199 4.1 14.0 1.0 CA B:HIS170 4.1 11.0 1.0 OH B:TYR97 4.1 15.9 1.0 CD2 B:HIS170 4.1 13.3 1.0 NZ B:KCX137 4.2 11.2 1.0 CG B:HIS199 4.2 13.8 1.0 CZ B:ARG223 4.5 15.3 1.0 OD1 B:ASP256 4.6 11.1 1.0 CZ B:TYR97 4.6 14.1 1.0 CE B:KCX137 4.6 12.2 1.0 NE B:ARG223 4.7 15.4 1.0 CG B:ASP256 4.7 12.3 1.0 O B:HOH622 4.9 38.5 1.0 O2 B:EDO408 4.9 23.3 1.0 C2 B:EDO408 4.9 29.8 1.0

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