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Chlorine in PDB 4kij: Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase Dehydratase From Mycobacterium Tuberculosis - Compound 35C [3,4-Dihydroxy-5-(3-Nitrophenoxy)Benzoic Acid]

Enzymatic activity of Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase Dehydratase From Mycobacterium Tuberculosis - Compound 35C [3,4-Dihydroxy-5-(3-Nitrophenoxy)Benzoic Acid]

All present enzymatic activity of Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase Dehydratase From Mycobacterium Tuberculosis - Compound 35C [3,4-Dihydroxy-5-(3-Nitrophenoxy)Benzoic Acid]:
4.2.1.10;

Protein crystallography data

The structure of Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase Dehydratase From Mycobacterium Tuberculosis - Compound 35C [3,4-Dihydroxy-5-(3-Nitrophenoxy)Benzoic Acid], PDB code: 4kij was solved by M.V.B Dias, N.G.Howard, T.L.Blundell, C.Abell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.92 / 2.80
Space group F 2 3
Cell size a, b, c (Å), α, β, γ (°) 126.980, 126.980, 126.980, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase Dehydratase From Mycobacterium Tuberculosis - Compound 35C [3,4-Dihydroxy-5-(3-Nitrophenoxy)Benzoic Acid] (pdb code 4kij). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase Dehydratase From Mycobacterium Tuberculosis - Compound 35C [3,4-Dihydroxy-5-(3-Nitrophenoxy)Benzoic Acid], PDB code: 4kij:

Chlorine binding site 1 out of 1 in 4kij

Go back to Chlorine Binding Sites List in 4kij
Chlorine binding site 1 out of 1 in the Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase Dehydratase From Mycobacterium Tuberculosis - Compound 35C [3,4-Dihydroxy-5-(3-Nitrophenoxy)Benzoic Acid]


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase Dehydratase From Mycobacterium Tuberculosis - Compound 35C [3,4-Dihydroxy-5-(3-Nitrophenoxy)Benzoic Acid] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:11.8
occ:0.50
NE2 A:HIS106 3.0 17.7 1.0
CD2 A:HIS106 3.9 18.0 1.0
CE1 A:HIS106 3.9 18.0 1.0
CG1 A:VAL126 4.5 18.2 1.0
CB A:VAL124 4.7 16.6 1.0
CG1 A:VAL124 4.7 16.6 1.0
CG2 A:VAL126 4.7 18.2 1.0
CG2 A:VAL124 5.0 15.6 1.0

Reference:

M.V.B.Dias, N.G.Howard, T.L.Blundell, C.Abell. Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase From Mycobacterium Tuberculosis To Be Published.
Page generated: Sat Dec 12 10:50:28 2020

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