Chlorine in PDB 4qq3: Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp

All present enzymatic activity of Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp:
1.1.1.205;

The structure of Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp, PDB code: 4qq3 was solved by J.Osipiuk, N.Maltseva, M.Makowska-Grzyska, M.Gu, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.60 / 1.72
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.900, 106.900, 65.489, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 19.3

The binding sites of Chlorine atom in the Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp (pdb code 4qq3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp, PDB code: 4qq3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:35.8 occ:1.00 O A:HOH723 2.5 27.5 1.0 O A:HOH634 3.0 32.8 1.0 N A:ALA281 3.1 19.3 1.0 CA A:VAL280 3.5 18.8 1.0 CB A:VAL280 3.5 19.6 1.0 OG1 A:THR282 3.5 20.7 1.0 C A:VAL280 3.8 19.4 1.0 CG1 A:VAL280 3.9 20.5 1.0 N A:THR282 3.9 20.0 1.0 CD1 A:ILE301 4.0 23.9 0.4 CG2 A:THR282 4.1 21.3 1.0 CA A:ALA281 4.1 20.2 1.0 CB A:HIS255 4.1 25.8 1.0 ND1 A:HIS255 4.2 27.1 1.0 CB A:THR282 4.3 21.6 1.0 CA A:GLY285 4.3 21.5 1.0 C A:ALA281 4.3 20.4 1.0 CB A:ALA281 4.5 20.9 1.0 CG A:HIS255 4.6 26.8 1.0 CA A:THR282 4.7 18.9 1.0 N A:GLY285 4.8 21.7 1.0 O A:ASN279 4.8 20.4 1.0 N A:VAL280 4.8 18.3 1.0 CG2 A:VAL280 4.9 20.2 1.0 CG1 A:ILE301 5.0 24.1 0.6 CE1 A:HIS253 5.0 31.2 1.0 O A:VAL280 5.0 19.0 1.0

Chlorine binding site 2 out of 2 in the Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:30.8 occ:1.00 O A:HOH687 2.8 38.9 1.0 OG1 A:THR12 3.0 24.9 1.0 NH1 A:ARG310 3.2 48.0 1.0 N A:GLN319 3.2 17.8 1.0 O A:HOH721 3.4 39.7 1.0 CA A:PRO318 3.7 18.7 1.0 CB A:GLN319 3.8 20.4 1.0 CB A:THR12 3.8 21.3 1.0 CB A:PRO303 3.8 30.0 1.0 C A:PRO318 4.0 18.4 1.0 CA A:PRO303 4.0 31.1 1.0 CA A:GLN319 4.1 19.5 1.0 CZ A:ARG310 4.4 52.4 1.0 CA A:THR12 4.6 18.2 1.0 CB A:PRO318 4.6 18.2 1.0 O A:VAL317 4.7 18.8 1.0 N A:PRO318 4.8 19.1 1.0 N A:PRO303 4.9 29.6 1.0 CG2 A:THR12 5.0 22.3 1.0

J.Osipiuk, N.Maltseva, M.Makowska-Grzyska, M.Gu, W.F.Anderson, A.Joachimiak. Inosine 5'-Monophosphate Dehydrogenase From Vibrio Cholerae, Deletion Mutant, in Complex with Xmp To Be Published.