Magnesium in PDB 3bp1: Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor

All present enzymatic activity of Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor:
1.7.1.13;

The structure of Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor, PDB code: 3bp1 was solved by Y.Kim, M.Zhou, S.Moy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.16 / 1.53
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.517, 71.578, 71.511, 119.25, 110.18, 99.58
R / Rfree (%)	14.3 / 18.3

The binding sites of Magnesium atom in the Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor (pdb code 3bp1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor, PDB code: 3bp1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg289 b:35.5 occ:1.00 OH A:TYR65 1.9 20.1 1.0 O A:HOH338 2.1 21.2 1.0 OD2 A:ASP266 2.7 11.9 1.0 CZ A:TYR65 3.2 15.8 1.0 NH2 A:ARG258 3.2 10.4 1.0 CB A:ARG283 3.5 11.4 1.0 OG1 A:THR63 3.5 11.7 1.0 CG A:ASP266 3.6 10.3 1.0 OE1 A:GLN287 3.6 10.9 1.0 CD A:GLN287 3.7 9.7 1.0 CB A:GLN287 3.7 11.9 1.0 CA A:ARG283 3.8 11.9 1.0 OD1 A:ASP266 3.8 11.9 1.0 NE2 A:GLN287 3.9 10.7 1.0 CE2 A:TYR65 4.0 15.8 1.0 CB A:THR63 4.0 10.9 1.0 O A:HOH580 4.1 31.6 1.0 CE1 A:TYR65 4.2 14.7 1.0 CG A:GLN287 4.2 9.8 1.0 CG2 A:THR63 4.3 10.7 1.0 O A:HOH342 4.3 28.2 1.0 O A:GLN287 4.4 14.0 1.0 O A:HOH292 4.5 13.7 1.0 CZ A:ARG258 4.5 11.0 1.0 N A:ARG283 4.6 12.9 1.0 CG A:ARG283 4.8 13.2 1.0 CA A:GLN287 4.9 11.6 1.0 C A:GLN287 4.9 12.5 1.0 OD1 A:ASN281 5.0 17.0 1.0 CB A:ASP266 5.0 11.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Putative 7-Cyano-7-Deazaguanine Reductase Quef From Vibrio Cholerae O1 Biovar Eltor within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg289 b:37.1 occ:1.00 OH D:TYR65 1.9 21.0 1.0 O D:HOH344 2.1 20.9 1.0 OD2 D:ASP266 2.7 12.5 1.0 NH2 D:ARG258 3.2 11.7 1.0 CZ D:TYR65 3.3 13.9 1.0 CB D:ARG283 3.4 12.4 1.0 OG1 D:THR63 3.5 12.6 1.0 OE1 D:GLN287 3.6 10.3 1.0 CG D:ASP266 3.6 10.6 1.0 CD D:GLN287 3.7 10.8 1.0 CB D:GLN287 3.7 11.3 1.0 OD1 D:ASP266 3.8 11.3 1.0 CA D:ARG283 3.8 12.0 1.0 NE2 D:GLN287 3.9 11.3 1.0 CE2 D:TYR65 4.0 15.7 1.0 CB D:THR63 4.0 10.5 1.0 CE1 D:TYR65 4.2 15.5 1.0 O D:HOH397 4.3 30.8 1.0 CG D:GLN287 4.3 10.2 1.0 CG2 D:THR63 4.3 11.3 1.0 O D:GLN287 4.4 14.3 1.0 O D:HOH291 4.5 12.8 1.0 CZ D:ARG258 4.5 10.8 1.0 N D:ARG283 4.6 12.4 1.0 CG D:ARG283 4.8 13.2 1.0 CA D:GLN287 4.9 10.8 1.0 C D:GLN287 4.9 12.3 1.0 OD1 D:ASN281 4.9 17.2 1.0

Y.Kim, M.Zhou, S.Moy, J.Morales, M.A.Cunningham, A.Joachimiak. High-Resolution Structure of the Nitrile Reductase Quef Combined with Molecular Simulations Provide Insight Into Enzyme Mechanism. J.Mol.Biol. V. 404 127 2010.
ISSN: ISSN 0022-2836
PubMed: 20875425
DOI: 10.1016/J.JMB.2010.09.042