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Fluorine in PDB 7ev3: Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp:
6.1.1.2;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp, PDB code: 7ev3 was solved by M.Xu, S.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.89 / 2.70
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 61.266, 61.266, 333.627, 90, 90, 120
R / Rfree (%) 20.1 / 24.9

Other elements in 7ev3:

The structure of Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp (pdb code 7ev3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp, PDB code: 7ev3:

Fluorine binding site 1 out of 1 in 7ev3

Go back to Fluorine Binding Sites List in 7ev3
Fluorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Tryptophanyl-Trna Synthetase Complexed with Y-10 and Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F403

b:35.6
occ:1.00
 F A:JE3403 0.0 35.6 1.0
C12 A:JE3403 1.3 34.2 1.0
C11 A:JE3403 2.4 28.1 1.0
C13 A:JE3403 2.4 32.1 1.0
C6 A:JE3403 3.1 31.0 1.0
C1 A:JE3403 3.2 31.3 1.0
CG A:GLN156 3.5 42.8 1.0
NE2 A:GLN138 3.6 31.9 1.0
O A:GLY13 3.6 32.9 1.0
C8 A:JE3403 3.6 28.8 1.0
C10 A:JE3403 3.6 28.2 1.0
OE1 A:GLN156 3.7 44.6 1.0
CG1 A:VAL152 3.7 37.2 1.0
O A:HOH515 3.7 33.1 1.0
CD A:GLN156 3.8 45.5 1.0
C3' A:ATP401 3.9 43.6 1.0
C A:JE3403 4.0 24.9 1.0
O3' A:ATP401 4.0 35.4 1.0
C9 A:JE3403 4.1 28.4 1.0
CB A:GLN156 4.2 41.7 1.0
C2 A:JE3403 4.3 33.2 1.0
C7 A:JE3403 4.3 32.0 1.0
C5' A:ATP401 4.4 39.3 1.0
CD A:GLN138 4.5 34.3 1.0
C4' A:ATP401 4.5 40.1 1.0
N A:GLY13 4.6 27.2 1.0
N2 A:JE3403 4.6 30.4 1.0
CB A:VAL152 4.6 39.3 1.0
C A:GLY13 4.7 31.6 1.0
OG A:SER12 4.7 33.2 1.0
NE2 A:GLN156 4.9 47.0 1.0

Reference:

Y.Yang, Y.Xu, Y.Yue, H.Wang, Y.Cui, M.Pan, X.Zhang, L.Zhang, H.Li, M.Xu, Y.Tang, S.Chen. Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents. Acs Chem.Biol. V. 17 39 2022.
ISSN: ESSN 1554-8937
PubMed: 34908399
DOI: 10.1021/ACSCHEMBIO.1C00394
Page generated: Fri Aug 2 06:46:19 2024

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