Atomistry » Fluorine » PDB 5msb-5njh » 5mys
Atomistry »
  Fluorine »
    PDB 5msb-5njh »
      5mys »

Fluorine in PDB 5mys: Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Compound GSK920684A at 1.59A Resolution

Protein crystallography data

The structure of Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Compound GSK920684A at 1.59A Resolution, PDB code: 5mys was solved by M.Blaszczyk, V.Mendes, G.Mugumbate, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 85.95 / 1.59
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 121.549, 121.549, 33.790, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Compound GSK920684A at 1.59A Resolution (pdb code 5mys). 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 Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Compound GSK920684A at 1.59A Resolution, PDB code: 5mys:

Fluorine binding site 1 out of 1 in 5mys

Go back to Fluorine Binding Sites List in 5mys
Fluorine binding site 1 out of 1 in the Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Compound GSK920684A at 1.59A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Transcriptional Regulatory Repressor Protein - Ethr From Mycobacterium Tuberculosis in Complex with Compound GSK920684A at 1.59A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:89.0
occ:1.00
F07 A:YP6301 0.0 89.0 1.0
C05 A:YP6301 1.4 74.1 1.0
C06 A:YP6301 2.4 77.8 1.0
C04 A:YP6301 2.4 61.3 1.0
CD1 A:LEU183 3.0 26.3 1.0
CE1 A:PHE184 3.2 52.3 1.0
C01 A:YP6301 3.6 76.5 1.0
CZ A:PHE184 3.6 43.9 1.0
C03 A:YP6301 3.7 66.4 1.0
CB A:LEU183 3.7 21.9 1.0
O A:ASN179 3.8 18.5 1.0
CA A:GLU180 3.9 21.1 1.0
CG A:LEU183 3.9 22.0 1.0
CD1 A:PHE184 4.0 47.6 1.0
C02 A:YP6301 4.1 73.7 1.0
CD2 A:PHE114 4.2 28.7 1.0
C A:ASN179 4.2 17.3 1.0
N A:GLU180 4.2 18.9 1.0
CB A:PHE110 4.4 23.9 1.0
O A:GLU180 4.5 22.7 1.0
CE2 A:PHE184 4.6 49.1 1.0
CE2 A:PHE114 4.6 30.8 1.0
C A:GLU180 4.7 20.0 1.0
CG A:PHE114 4.7 25.1 1.0
O08 A:YP6301 4.8 68.5 1.0
CB A:GLU180 4.8 21.6 1.0
CG A:PHE184 4.9 43.6 1.0
O23 A:YP6301 4.9 76.0 1.0
CB A:ASN179 5.0 18.2 1.0
CB A:PHE114 5.0 21.9 1.0

Reference:

G.Mugumbate, V.Mendes, M.Blaszczyk, M.Sabbah, G.Papadatos, J.Lelievre, L.Ballell, D.Barros, C.Abell, T.L.Blundell, J.P.Overington. Target Identification of Mycobacterium Tuberculosis Phenotypic Hits Using A Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol V. 8 681 2017.
ISSN: ISSN 1663-9812
PubMed: 29018348
DOI: 10.3389/FPHAR.2017.00681
Page generated: Sun Dec 13 12:28:26 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy