Cobalt in PDB 5vej: High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase

The structure of High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase, PDB code: 5vej was solved by C.Selleck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.74 / 1.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.072, 109.072, 62.790, 90.00, 90.00, 120.00
R / Rfree (%)	13.1 / 14.4

The structure of High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Cobalt atom in the High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase (pdb code 5vej). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase, PDB code: 5vej:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Co403 b:10.2 occ:0.85 HD1 A:HIS201 1.3 15.3 1.0 OQ1 A:KCX169 2.0 12.6 1.0 NE2 A:HIS230 2.0 11.5 1.0 ND1 A:HIS201 2.1 12.8 1.0 F A:F405 2.1 15.6 0.9 O A:HOH738 2.3 15.8 1.0 CE1 A:HIS201 3.0 14.1 1.0 CE1 A:HIS230 3.0 12.8 1.0 CX A:KCX169 3.0 13.2 1.0 CD2 A:HIS230 3.1 10.8 1.0 HB2 A:HIS201 3.1 14.5 1.0 HE1 A:HIS201 3.1 16.9 1.0 HE1 A:TRP131 3.2 16.5 1.0 HE1 A:HIS230 3.2 15.4 1.0 CG A:HIS201 3.2 12.3 1.0 HD2 A:HIS230 3.2 12.9 1.0 OQ2 A:KCX169 3.4 11.6 1.0 HH21 A:ARG254 3.6 17.3 0.7 HE1 A:HIS55 3.6 11.7 1.0 CB A:HIS201 3.6 12.1 1.0 CO A:CO404 3.7 9.8 1.0 HE2 A:HIS55 3.8 12.0 1.0 NH2 A:ARG254 3.8 14.4 0.7 HH22 A:ARG254 3.9 17.3 0.7 NE1 A:TRP131 4.0 13.7 1.0 HA A:HIS201 4.0 13.7 1.0 ND1 A:HIS230 4.1 12.1 1.0 NE2 A:HIS201 4.2 15.3 1.0 CE1 A:HIS55 4.2 9.7 1.0 CG A:HIS230 4.2 10.7 1.0 OD2 A:ASP301 4.2 11.4 1.0 NE2 A:HIS55 4.2 10.0 1.0 NZ A:KCX169 4.3 11.9 1.0 CD2 A:HIS201 4.3 14.5 1.0 HE2 A:PHE132 4.3 17.2 1.0 HD1 A:TRP131 4.3 15.5 1.0 HB3 A:HIS201 4.4 14.5 1.0 CA A:HIS201 4.4 11.4 1.0 O A:HOH774 4.5 43.7 1.0 CZ A:ARG254 4.5 11.4 0.7 CD1 A:TRP131 4.6 12.9 1.0 HE A:ARG254 4.7 13.6 0.7 CE A:KCX169 4.7 12.2 1.0 HD1 A:HIS230 4.9 14.5 1.0 NE A:ARG254 4.9 11.3 0.7 O A:HOH692 5.0 18.8 0.8 OD1 A:ASP301 5.0 10.5 1.0 CG A:ASP301 5.0 10.6 1.0 O A:HOH818 5.0 64.8 1.0

Cobalt binding site 2 out of 2 in the High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of High Resolution Crystal Structure of A Fluoride-Inhibited Organo- Phosphate-Degrading Metallohydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Co404 b:9.8 occ:1.00 HE2 A:HIS55 1.3 12.0 1.0 F A:F405 2.0 15.6 0.9 NE2 A:HIS57 2.1 9.8 1.0 OQ2 A:KCX169 2.1 11.6 1.0 OD1 A:ASP301 2.1 10.5 1.0 NE2 A:HIS55 2.2 10.0 1.0 CE1 A:HIS57 3.0 9.6 1.0 CG A:ASP301 3.0 10.6 1.0 CX A:KCX169 3.0 13.2 1.0 CD2 A:HIS55 3.1 9.8 1.0 CD2 A:HIS57 3.1 9.0 1.0 HD2 A:HIS55 3.2 11.7 1.0 HE1 A:HIS57 3.2 11.5 1.0 CE1 A:HIS55 3.2 9.7 1.0 HD2 A:HIS57 3.3 10.8 1.0 OD2 A:ASP301 3.3 11.4 1.0 HE1 A:HIS55 3.4 11.7 1.0 HE1 A:HIS230 3.5 15.4 1.0 OQ1 A:KCX169 3.5 12.6 1.0 HG23 A:VAL101 3.7 12.7 1.0 CO A:CO403 3.7 10.2 0.8 HG21 A:VAL101 4.0 12.7 1.0 NZ A:KCX169 4.2 11.9 1.0 CG2 A:VAL101 4.2 10.6 1.0 ND1 A:HIS57 4.2 10.1 1.0 CE1 A:HIS230 4.2 12.8 1.0 HA A:ASP301 4.2 11.6 1.0 CG A:HIS57 4.2 9.4 1.0 HG22 A:VAL101 4.2 12.7 1.0 CG A:HIS55 4.3 9.2 1.0 ND1 A:HIS55 4.3 10.1 1.0 O A:HOH738 4.3 15.8 1.0 CB A:ASP301 4.4 10.2 1.0 NE2 A:HIS230 4.4 11.5 1.0 HB2 A:ASP301 4.6 12.3 1.0 O A:HOH692 4.6 18.8 0.8 HH21 A:ARG254 4.8 17.3 0.7 CA A:ASP301 4.8 9.6 1.0 HD13 A:ILE106 4.9 14.6 1.0 HD1 A:HIS201 4.9 15.3 1.0 HD1 A:HIS57 4.9 12.2 1.0

C.Selleck, L.W.Guddat, D.L.Ollis, G.Schenk, M.M.Pedroso. High Resolution Crystal Structure of A Fluoride-Inhibited Organophosphate-Degrading Metallohydrolase. J. Inorg. Biochem. V. 177 287 2017.
ISSN: ISSN 1873-3344
PubMed: 28673485
DOI: 10.1016/J.JINORGBIO.2017.06.013