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Iodine in PDB 7nls: Crystal Structure of Mycobacterium Tuberculosis Argb in Complex with Methyl 4-Hydroxy-3-Iodobenzoate

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Argb in Complex with Methyl 4-Hydroxy-3-Iodobenzoate

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Argb in Complex with Methyl 4-Hydroxy-3-Iodobenzoate:
2.7.2.8;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Argb in Complex with Methyl 4-Hydroxy-3-Iodobenzoate, PDB code: 7nls was solved by V.Mendes, S.E.Thomas, J.Cory-Wright, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.10 / 2.65
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 174.238, 174.238, 72.03, 90, 90, 120
R / Rfree (%) 19.3 / 25.5

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Mycobacterium Tuberculosis Argb in Complex with Methyl 4-Hydroxy-3-Iodobenzoate (pdb code 7nls). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Mycobacterium Tuberculosis Argb in Complex with Methyl 4-Hydroxy-3-Iodobenzoate, PDB code: 7nls:

Iodine binding site 1 out of 1 in 7nls

Go back to Iodine Binding Sites List in 7nls
Iodine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Argb in Complex with Methyl 4-Hydroxy-3-Iodobenzoate


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Argb in Complex with Methyl 4-Hydroxy-3-Iodobenzoate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:126.3
occ:0.50
 I11 A:98T301 0.0 126.3 0.5
C10 A:98T301 2.1 112.1 0.5
C12 A:98T301 3.0 114.0 0.5
C08 A:98T301 3.1 105.8 0.5
O09 A:98T301 3.3 105.0 0.5
C05 A:98T301 4.4 112.6 0.5
C07 A:98T301 4.4 103.2 0.5
CD1 A:LEU134 4.5 60.9 1.0
CB A:ALA132 4.6 60.4 1.0
CD1 A:LEU168 4.6 78.7 1.0
CD2 A:LEU168 4.6 73.9 1.0
C06 A:98T301 4.9 106.1 0.5

Reference:

P.Gupta, S.E.Thomas, S.A.Zaidan, M.A.Pasillas, J.Cory-Wright, V.Sebastian-Perez, A.Burgess, E.Cattermole, C.Meghir, C.Abell, A.G.Coyne, W.R.Jacobs, T.L.Blundell, S.Tiwari, V.Mendes. A Fragment-Based Approach to Assess the Ligandability of Argb, Argc, Argd and Argf in the L-Arginine Biosynthetic Pathway of Mycobacterium Tuberculosis Comput Struct Biotechnol J V. 19 3491 2021.
ISSN: ESSN 2001-0370
DOI: 10.1016/J.CSBJ.2021.06.006
Page generated: Mon Aug 12 01:49:13 2024

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