Arsenic in PDB 1wmb: Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase

All present enzymatic activity of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase:
1.1.1.30;

The structure of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase, PDB code: 1wmb was solved by K.Ito, Y.Nakajima, E.Ichihara, K.Ogawa, T.Yoshimoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.336, 99.025, 110.229, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 24.7

The structure of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Arsenic atom in the Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase (pdb code 1wmb). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase, PDB code: 1wmb:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:As1302 b:29.9 occ:1.00 AS A:CAC1302 0.0 29.9 1.0 O2 A:CAC1302 1.6 33.8 1.0 O1 A:CAC1302 1.7 32.5 1.0 C2 A:CAC1302 1.8 33.3 1.0 C1 A:CAC1302 2.0 31.4 1.0 O A:HOH1410 3.3 25.1 1.0 OG A:SER142 3.7 9.6 1.0 OH A:TYR155 3.8 16.1 1.0 O A:HOH1346 3.9 21.6 1.0 O A:GLY186 4.0 12.8 1.0 O A:HOH1418 4.2 31.9 1.0 O A:PRO185 4.4 11.3 1.0 CE1 A:TYR155 4.5 13.6 1.0 CZ A:TYR155 4.5 16.6 1.0 CB A:SER142 4.5 9.8 1.0 O A:HOH1344 4.5 17.6 1.0 NE2 A:GLN94 4.5 35.7 1.0 O A:HOH1513 4.7 43.8 1.0 C A:GLY186 4.7 11.7 1.0 ND1 A:HIS144 4.9 13.7 1.0 O A:HOH1509 4.9 40.4 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:As2302 b:28.6 occ:1.00 AS B:CAC2302 0.0 28.6 1.0 O2 B:CAC2302 1.6 29.8 1.0 O1 B:CAC2302 1.7 32.6 1.0 C2 B:CAC2302 1.8 29.3 1.0 C1 B:CAC2302 2.0 28.4 1.0 O B:HOH2342 3.5 18.4 1.0 OH B:TYR155 3.6 13.7 1.0 OG B:SER142 3.7 13.7 1.0 O B:HOH2335 4.0 16.2 1.0 O B:GLY186 4.2 13.4 1.0 CE1 B:TYR155 4.3 14.0 1.0 CZ B:TYR155 4.4 13.6 1.0 NE2 B:GLN94 4.4 27.0 1.0 O B:PRO185 4.4 12.8 1.0 CB B:SER142 4.5 10.1 1.0 O B:HOH2455 4.7 35.6 1.0 ND1 B:HIS144 4.7 9.1 1.0 C B:GLY186 4.9 13.2 1.0

K.Ito, Y.Nakajima, E.Ichihara, K.Ogawa, N.Katayama, K.Nakashima, T.Yoshimoto. D-3-Hydroxybutyrate Dehydrogenase From Pseudomonas Fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme J.Mol.Biol. V. 355 722 2006.
ISSN: ISSN 0022-2836
PubMed: 16325199
DOI: 10.1016/J.JMB.2005.10.072