Chlorine in PDB 3vmj: 3-Isopropylmalate Dehydrogenase From Shewanella Oneidensis Mr-1

All present enzymatic activity of 3-Isopropylmalate Dehydrogenase From Shewanella Oneidensis Mr-1:
1.1.1.85;

The structure of 3-Isopropylmalate Dehydrogenase From Shewanella Oneidensis Mr-1, PDB code: 3vmj was solved by T.Nagae, N.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.37 / 1.56
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.683, 57.495, 76.330, 90.00, 119.03, 90.00
R / Rfree (%)	17.7 / 21.5

The structure of 3-Isopropylmalate Dehydrogenase From Shewanella Oneidensis Mr-1 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the 3-Isopropylmalate Dehydrogenase From Shewanella Oneidensis Mr-1 (pdb code 3vmj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the 3-Isopropylmalate Dehydrogenase From Shewanella Oneidensis Mr-1, PDB code: 3vmj:

Chlorine binding site 1 out of 1 in the 3-Isopropylmalate Dehydrogenase From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3-Isopropylmalate Dehydrogenase From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:14.2 occ:1.00 O A:HOH562 3.1 24.0 1.0 N A:ILE142 3.3 11.4 1.0 N A:LEU246 3.3 12.4 1.0 CA A:GLY141 3.6 12.9 1.0 O A:HOH829 3.7 29.2 1.0 N A:ASN245 3.7 12.2 1.0 CB A:ASN245 3.7 11.7 1.0 CE A:MET163 3.7 14.8 1.0 CG2 A:ILE142 3.7 13.6 1.0 CB A:LEU246 3.8 13.8 1.0 C A:GLY141 4.0 14.6 1.0 CE2 A:TYR165 4.1 13.2 1.0 CG A:MET163 4.1 12.8 1.0 CA A:ASN245 4.1 11.3 1.0 CB A:ILE142 4.1 11.0 1.0 CA A:LEU246 4.2 13.0 1.0 C A:ASN245 4.2 13.4 1.0 CB A:SER244 4.3 14.8 1.0 CA A:ILE142 4.3 12.7 1.0 OH A:TYR165 4.4 13.9 1.0 SD A:MET163 4.4 14.1 1.0 OG A:SER244 4.5 20.9 1.0 O A:GLY140 4.6 15.2 1.0 C A:SER244 4.6 12.5 1.0 CZ A:TYR165 4.7 11.6 1.0 N A:GLY141 4.7 12.6 1.0 CD1 A:TYR143 5.0 15.0 1.0 CG A:ASN245 5.0 13.4 1.0 N A:TYR143 5.0 13.7 1.0

T.Nagae, C.Kato, N.Watanabe. Structural Analysis of 3-Isopropylmalate Dehydrogenase From the Obligate Piezophile Shewanella Benthica DB21MT-2 and the Nonpiezophile Shewanella Oneidensis Mr-1 Acta Crystallogr.,Sect.F V. 68 265 2012.
ISSN: ESSN 1744-3091
PubMed: 22442218
DOI: 10.1107/S1744309112001443