Manganese in PDB 1cnz: 3-Isopropylmalate Dehydrogenase (Ipmdh) From Salmonella Typhimurium

The structure of 3-Isopropylmalate Dehydrogenase (Ipmdh) From Salmonella Typhimurium, PDB code: 1cnz was solved by G.Wallon, G.Kryger, S.T.Lovett, T.Oshima, D.Ringe, G.A.Petsko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.900, 100.800, 109.300, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25.7

The binding sites of Manganese atom in the 3-Isopropylmalate Dehydrogenase (Ipmdh) From Salmonella Typhimurium (pdb code 1cnz). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the 3-Isopropylmalate Dehydrogenase (Ipmdh) From Salmonella Typhimurium, PDB code: 1cnz:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the 3-Isopropylmalate Dehydrogenase (Ipmdh) From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 3-Isopropylmalate Dehydrogenase (Ipmdh) From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn801 b:12.5 occ:1.00 OD2 A:ASP251 2.5 15.9 1.0 OD2 B:ASP227 2.5 16.4 1.0 O A:HOH1055 2.7 19.6 1.0 O3 A:SO4902 2.8 27.1 1.0 O A:HOH1054 2.9 39.4 1.0 OD2 A:ASP255 3.0 12.7 1.0 O A:HOH1053 3.4 24.8 1.0 CG A:ASP251 3.6 15.4 1.0 CG B:ASP227 3.6 13.0 1.0 O A:HOH1115 3.8 38.5 1.0 CG A:ASP255 3.8 10.1 1.0 S A:SO4902 3.9 20.0 1.0 CB B:ASP227 4.0 10.2 1.0 OD1 A:ASP251 4.1 16.1 1.0 O2 A:SO4902 4.1 30.5 1.0 OD1 A:ASP255 4.1 13.5 1.0 O A:ASP251 4.2 7.7 1.0 NZ B:LYS195 4.3 14.6 1.0 O4 A:SO4902 4.4 33.0 1.0 O B:HOH1198 4.6 19.8 1.0 OD1 B:ASP227 4.6 19.9 1.0 NH1 A:ARG138 4.7 9.1 1.0 CB A:ASP251 4.7 11.3 1.0 C A:ASP251 4.8 6.9 1.0 CA A:ASP251 4.8 8.7 1.0 CB A:ASP255 5.0 9.0 1.0 NH2 A:ARG109 5.0 10.1 1.0

Manganese binding site 2 out of 2 in the 3-Isopropylmalate Dehydrogenase (Ipmdh) From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 3-Isopropylmalate Dehydrogenase (Ipmdh) From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn802 b:12.0 occ:1.00 OD2 B:ASP251 2.5 10.8 1.0 OD2 B:ASP255 2.5 19.0 1.0 OD1 A:ASP227 2.8 17.1 1.0 O B:HOH968 3.0 15.1 1.0 O B:HOH964 3.2 20.5 1.0 CG A:ASP227 3.4 16.4 1.0 CG B:ASP251 3.5 10.4 1.0 CG B:ASP255 3.5 14.4 1.0 CB A:ASP227 3.6 12.4 1.0 O3 B:SO4904 3.7 30.9 1.0 O B:HOH965 3.7 21.9 1.0 OD1 B:ASP255 3.8 16.6 1.0 O4 B:SO4904 3.8 32.7 1.0 OD1 B:ASP251 3.9 9.2 1.0 O B:ASP251 4.1 9.4 1.0 O A:HOH911 4.3 31.0 1.0 OD2 A:ASP227 4.3 19.5 1.0 S B:SO4904 4.4 31.5 1.0 C B:ASP251 4.6 7.8 1.0 CB B:ASP255 4.7 11.9 1.0 CB B:ASP251 4.7 8.9 1.0 NZ A:LYS195 4.9 22.0 1.0 CA B:ASP251 4.9 8.0 1.0

G.Wallon, G.Kryger, S.T.Lovett, T.Oshima, D.Ringe, G.A.Petsko. Crystal Structures of Eschericia Coli and Salmonella Typhimurium 3- Isopropylmalate Dehydrogenase and Comparison with Their Thermophilic Counterpart From Thermus Thermophilus J.Mol.Biol. V. 266 1016 1997.
ISSN: ISSN 0022-2836
PubMed: 9086278
DOI: 10.1006/JMBI.1996.0797