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Chlorine in PDB 4zqo: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67, PDB code: 4zqo was solved by Y.Kim, M.Makowska-Grzyska, M.Gu, M.Kavitha, L.Hedstrom, 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) 30.47 / 1.76
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 88.252, 88.252, 84.268, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 17.9

Other elements in 4zqo:

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67 also contains other interesting chemical elements:

Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67 (pdb code 4zqo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67, PDB code: 4zqo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4zqo

Go back to Chlorine Binding Sites List in 4zqo
Chlorine binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:37.9
occ:1.00
 CL2 A:Q67602 0.0 37.9 1.0
C5 A:Q67602 1.8 26.6 1.0
C4 A:Q67602 2.7 25.0 1.0
C6 A:Q67602 2.8 29.1 1.0
N1 A:Q67602 2.9 30.5 1.0
CL1 A:Q67602 3.2 34.2 1.0
N A:GLY425 3.3 26.4 1.0
O A:MET424 3.3 28.0 1.0
C A:MET424 3.3 26.9 1.0
CA A:GLY425 3.3 25.4 1.0
CB A:MET424 4.0 24.1 1.0
C3 A:Q67602 4.0 26.3 1.0
C1 A:Q67602 4.1 27.9 1.0
CA A:MET424 4.2 24.5 1.0
O A:HOH880 4.3 50.2 1.0
C10 A:Q67602 4.4 26.0 1.0
O A:HOH878 4.4 61.8 1.0
C2 A:Q67602 4.6 27.6 1.0
O13 A:Q67602 4.7 28.5 1.0
O6 A:IMP601 4.7 24.4 1.0
C6 A:IMP601 4.7 23.9 1.0
C A:GLY425 4.9 25.4 1.0
O A:HOH775 4.9 42.6 1.0
N A:MET424 4.9 22.7 1.0
C11 A:Q67602 5.0 26.2 1.0

Chlorine binding site 2 out of 2 in 4zqo

Go back to Chlorine Binding Sites List in 4zqo
Chlorine binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis in the Complex with Imp and the Inhibitor Q67 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:34.2
occ:1.00
 CL1 A:Q67602 0.0 34.2 1.0
C6 A:Q67602 1.8 29.1 1.0
C5 A:Q67602 2.8 26.6 1.0
C1 A:Q67602 2.8 27.9 1.0
CL2 A:Q67602 3.2 37.9 1.0
C5 A:IMP601 3.6 21.8 1.0
O A:HOH863 3.6 35.0 1.0
O A:HOH880 3.6 50.2 1.0
N7 A:IMP601 3.7 22.5 1.0
C4 A:IMP601 3.7 22.8 1.0
C8 A:IMP601 3.9 22.1 1.0
N9 A:IMP601 3.9 21.1 1.0
O A:HOH869 3.9 58.2 1.0
CB A:MET424 4.0 24.1 1.0
C4 A:Q67602 4.0 25.0 1.0
C2 A:Q67602 4.1 27.6 1.0
C6 A:IMP601 4.1 23.9 1.0
O A:HOH724 4.1 48.3 1.0
N3 A:IMP601 4.3 23.6 1.0
C3 A:Q67602 4.6 26.3 1.0
N1 A:IMP601 4.6 22.9 1.0
C2 A:IMP601 4.6 23.9 1.0
C1' A:IMP601 4.7 19.5 1.0
O6 A:IMP601 4.7 24.4 1.0
C2' A:IMP601 4.8 22.3 1.0
N A:GLY425 4.8 26.4 1.0
CA A:MET424 4.8 24.5 1.0
CG A:MET424 4.9 22.6 1.0
C A:MET424 4.9 26.9 1.0
N A:MET424 4.9 22.7 1.0

Reference:

M.Makowska-Grzyska, Y.Kim, S.K.Gorla, Y.Wei, K.Mandapati, M.Zhang, N.Maltseva, G.Modi, H.I.Boshoff, M.Gu, C.Aldrich, G.D.Cuny, L.Hedstrom, A.Joachimiak. Mycobacterium Tuberculosis Impdh in Complexes with Substrates, Products and Antitubercular Compounds. Plos One V. 10 38976 2015.
ISSN: ESSN 1932-6203
PubMed: 26440283
DOI: 10.1371/JOURNAL.PONE.0138976
Page generated: Fri Jul 26 04:46:41 2024

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