Manganese 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:

Chlorine

(Cl)

2 atoms

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of Icdh-1 From M.Tuberculosis Complexed with Nadph & MN2+, PDB code: 4hcx:
Jump to Manganese binding site number: 1; 2;

Manganese 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 Manganese with other atoms in the Mn 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:Mn501 b:31.1 occ:1.00 O B:HOH604 2.0 34.3 1.0 OD2 A:ASP282 2.1 22.8 1.0 OD2 B:ASP255 2.2 26.6 1.0 OD1 A:ASP278 2.2 29.2 1.0 O A:ASP278 2.2 20.9 1.0 O A:HOH708 2.5 31.6 1.0 CG A:ASP282 3.0 26.7 1.0 C A:ASP278 3.1 20.2 1.0 CG A:ASP278 3.1 20.7 1.0 OD1 A:ASP282 3.2 34.8 1.0 CG B:ASP255 3.3 27.0 1.0 CA A:ASP278 3.6 19.4 1.0 CB B:ASP255 3.7 23.9 1.0 O B:HOH723 3.9 38.7 1.0 CB A:ASP278 3.9 18.9 1.0 OD2 A:ASP278 4.0 21.8 1.0 O A:HOH741 4.2 35.4 1.0 O B:HOH728 4.2 39.9 1.0 N A:VAL279 4.2 20.1 1.0 CB A:ASP282 4.3 25.1 1.0 OD1 B:ASP255 4.4 24.1 1.0 O A:HOH682 4.4 16.4 1.0 O B:HOH681 4.5 49.2 1.0 CA A:VAL279 4.6 21.0 1.0 O A:HOH756 4.6 45.6 1.0 NZ B:LYS215 4.7 16.4 1.0 CA B:ASP255 4.9 25.0 1.0

Manganese 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 Manganese with other atoms in the Mn 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:Mn501 b:31.4 occ:1.00 OD2 B:ASP282 2.1 34.1 1.0 O A:HOH607 2.1 26.1 1.0 OD1 B:ASP278 2.1 28.8 1.0 OD2 A:ASP255 2.3 30.0 1.0 O B:ASP278 2.3 23.5 1.0 O B:HOH720 2.7 31.3 1.0 CG B:ASP282 3.0 33.0 1.0 CG B:ASP278 3.1 24.5 1.0 OD1 B:ASP282 3.3 34.5 1.0 C B:ASP278 3.3 21.9 1.0 CG A:ASP255 3.4 25.7 1.0 O B:HOH673 3.7 34.6 1.0 CA B:ASP278 3.8 22.3 1.0 OD2 B:ASP278 3.9 21.7 1.0 CB A:ASP255 3.9 24.9 1.0 CB B:ASP278 3.9 22.6 1.0 N B:VAL279 4.3 22.0 1.0 CB B:ASP282 4.4 32.1 1.0 OD1 A:ASP255 4.5 17.1 1.0 CA B:VAL279 4.6 22.5 1.0 NZ A:LYS215 4.7 13.7 1.0 CA A:ASP255 4.9 26.1 1.0 N B:ASP282 5.0 30.7 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