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Chlorine in PDB 3zhy: Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue

Enzymatic activity of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue

All present enzymatic activity of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue:
1.1.1.267;

Protein crystallography data

The structure of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue, PDB code: 3zhy was solved by C.Bjorkelid, A.M.Jansson, T.Bergfors, T.Unge, S.L.Mowbray, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 86.45 / 2.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 111.740, 111.740, 136.450, 90.00, 90.00, 90.00
R / Rfree (%) 20.148 / 25.407

Other elements in 3zhy:

The structure of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue (pdb code 3zhy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue, PDB code: 3zhy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3zhy

Go back to Chlorine Binding Sites List in 3zhy
Chlorine binding site 1 out of 4 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:67.0
occ:1.00
 CL1 A:FM6501 0.0 67.0 1.0
C8 A:FM6501 1.7 62.0 1.0
C7 A:FM6501 2.7 51.7 1.0
C9 A:FM6501 2.8 57.8 1.0
CL2 A:FM6501 3.2 57.5 1.0
C6 A:FM6501 4.0 44.6 1.0
CE A:MET205 4.0 61.3 1.0
C10 A:FM6501 4.1 54.7 1.0
OG A:SER177 4.3 35.9 1.0
CB A:SER177 4.4 33.9 1.0
C11 A:FM6501 4.6 49.7 1.0
OP2 A:FM6501 5.0 32.3 1.0

Chlorine binding site 2 out of 4 in 3zhy

Go back to Chlorine Binding Sites List in 3zhy
Chlorine binding site 2 out of 4 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:57.5
occ:1.00
 CL2 A:FM6501 0.0 57.5 1.0
C9 A:FM6501 1.7 57.8 1.0
C10 A:FM6501 2.7 54.7 1.0
C8 A:FM6501 2.7 62.0 1.0
CL1 A:FM6501 3.2 67.0 1.0
OG A:SER245 3.3 32.9 1.0
CB A:SER245 3.4 33.8 1.0
CB A:PRO265 3.9 30.8 1.0
C11 A:FM6501 4.0 49.7 1.0
C7 A:FM6501 4.0 51.7 1.0
CG A:PRO265 4.0 31.1 1.0
C14 A:FM6501 4.3 50.0 1.0
C15 A:FM6501 4.4 43.7 1.0
C6 A:FM6501 4.4 44.6 1.0
CA A:SER245 4.9 32.6 1.0
C13 A:FM6501 4.9 52.1 1.0
O A:GLN244 5.0 33.2 1.0

Chlorine binding site 3 out of 4 in 3zhy

Go back to Chlorine Binding Sites List in 3zhy
Chlorine binding site 3 out of 4 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:89.9
occ:1.00
 CL1 B:FM6501 0.0 89.9 1.0
C8 B:FM6501 1.7 85.5 1.0
C7 B:FM6501 2.7 77.1 1.0
C9 B:FM6501 2.8 80.7 1.0
CL2 B:FM6501 3.2 61.4 1.0
C6 B:FM6501 4.0 65.5 1.0
C10 B:FM6501 4.1 76.4 1.0
C11 B:FM6501 4.6 72.7 1.0
CB B:SER177 4.8 37.8 1.0
OG B:SER177 4.8 39.2 1.0

Chlorine binding site 4 out of 4 in 3zhy

Go back to Chlorine Binding Sites List in 3zhy
Chlorine binding site 4 out of 4 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Di-Substituted Fosmidomycin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:61.4
occ:1.00
 CL2 B:FM6501 0.0 61.4 1.0
C9 B:FM6501 1.7 80.7 1.0
C10 B:FM6501 2.7 76.4 1.0
C8 B:FM6501 2.7 85.5 1.0
CL1 B:FM6501 3.2 89.9 1.0
CB B:SER245 3.4 37.5 1.0
OG B:SER245 3.6 47.0 1.0
CB B:PRO265 3.7 36.5 1.0
CG B:PRO265 3.9 41.8 1.0
C11 B:FM6501 4.0 72.7 1.0
C7 B:FM6501 4.0 77.1 1.0
C16 B:FM6501 4.3 48.1 1.0
C17 B:FM6501 4.3 47.8 1.0
C6 B:FM6501 4.5 65.5 1.0
CA B:SER245 4.9 35.9 1.0
C15 B:FM6501 5.0 48.8 1.0
O B:GLN244 5.0 33.4 1.0

Reference:

A.M.Jansson, A.Wieckowska, C.Bjorkelid, S.Yahiaoui, S.Sooriyaarachchi, M.Lindh, T.Bergfors, S.Dharavath, M.Desroses, S.Suresh, M.Andaloussi, R.Nikhil, S.Sreevalli, B.R.Srinivasa, M.Larhed, T.A.Jones, A.Karlen, S.L.Mowbray. Dxr Inhibition By Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem. V. 56 6190 2013.
ISSN: ISSN 0022-2623
PubMed: 23819803
DOI: 10.1021/JM4006498
Page generated: Sat Dec 12 10:21:06 2020

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