Chlorine in PDB 4hcx: Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+

All present enzymatic activity of Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+:
1.1.1.42;

The structure of Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+, PDB code: 4hcx was solved by S.Hazra, J.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.135, 92.704, 102.894, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 26.2

The structure of Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+ also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+ (pdb code 4hcx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+, PDB code: 4hcx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:40.7 occ:1.00 O A:HOH657 3.1 25.0 1.0 NE A:ARG143 3.2 27.4 1.0 N A:GLY139 3.4 17.1 1.0 CG A:ARG143 3.6 18.8 1.0 NH2 A:ARG143 3.7 27.8 1.0 CA A:PHE138 3.8 20.1 1.0 CZ A:ARG143 3.8 28.4 1.0 CD A:ARG143 3.9 23.5 1.0 CD2 A:PHE138 4.0 24.8 1.0 O A:ALA137 4.0 21.7 1.0 C A:PHE138 4.0 18.8 1.0 CA A:GLY139 4.4 17.1 1.0 CG A:PHE138 4.4 24.3 1.0 CB A:PHE138 4.4 20.4 1.0 CE2 A:PHE138 4.6 24.2 1.0 CB A:TYR142 4.7 15.6 1.0 O A:TYR142 4.7 14.8 1.0 N A:PHE138 4.8 20.3 1.0 C A:ALA137 4.8 21.1 1.0 O A:GLY139 4.8 17.0 1.0 ND2 A:ASN274 4.8 22.6 1.0 C A:TYR142 4.8 16.4 1.0 NH1 A:ARG143 5.0 29.8 1.0 CB A:ARG143 5.0 17.5 1.0

Chlorine binding site 2 out of 2 in the Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:33.8 occ:1.00 O B:HOH658 3.0 23.2 1.0 NE B:ARG143 3.3 30.0 1.0 N B:GLY139 3.4 18.8 1.0 CA B:PHE138 3.7 20.9 1.0 CG B:ARG143 3.7 20.4 1.0 O B:ALA137 3.8 19.4 1.0 NH2 B:ARG143 3.9 24.8 1.0 CD1 B:PHE138 4.0 20.0 1.0 C B:PHE138 4.1 20.2 1.0 CD B:ARG143 4.1 25.0 1.0 CZ B:ARG143 4.1 26.0 1.0 CG B:PHE138 4.4 22.0 1.0 CA B:GLY139 4.5 19.2 1.0 CB B:TYR142 4.5 18.4 1.0 ND2 B:ASN274 4.5 15.3 1.0 N B:PHE138 4.5 20.9 1.0 CB B:PHE138 4.5 20.8 1.0 C B:ALA137 4.6 19.6 1.0 CE1 B:PHE138 4.7 20.3 1.0 O B:TYR142 4.7 16.8 1.0 O B:GLY139 4.8 19.4 1.0 C B:TYR142 4.9 17.9 1.0

C.E.Quartararo, S.Hazra, T.Hadi, J.S.Blanchard. Structural, Kinetic and Chemical Mechanism of Isocitrate Dehydrogenase-1 From Mycobacterium Tuberculosis. Biochemistry V. 52 1765 2013.
ISSN: ISSN 0006-2960
PubMed: 23409873
DOI: 10.1021/BI400037W