Fluorine in PDB 6p9l: Crystal Structure of Mycobacterium Tuberculosis Kasa in Complex with Jfx

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Kasa in Complex with Jfx

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Kasa in Complex with Jfx:
2.3.1.41;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Kasa in Complex with Jfx, PDB code: 6p9l was solved by G.C.Capodagli, M.B.Neiditch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.52 / 2.31
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 77.804, 77.804, 146.374, 90.00, 90.00, 120.00
R / Rfree (%) 17.1 / 20.4

Other elements in 6p9l:

The structure of Crystal Structure of Mycobacterium Tuberculosis Kasa in Complex with Jfx also contains other interesting chemical elements:

Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Kasa in Complex with Jfx (pdb code 6p9l). 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 Kasa in Complex with Jfx, PDB code: 6p9l:

Fluorine binding site 1 out of 1 in 6p9l

Go back to Fluorine Binding Sites List in 6p9l
Fluorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Kasa in Complex with Jfx


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 Kasa in Complex with Jfx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:70.0
occ:1.00
 F15 A:JFX501 0.0 70.0 1.0
C14 A:JFX501 1.4 68.9 1.0
C13 A:JFX501 2.4 65.4 1.0
CA A:GLU241 3.3 39.7 1.0
N A:GLU241 3.4 43.2 1.0
C A:GLY240 3.4 50.9 1.0
CG A:GLU241 3.5 44.2 1.0
O A:GLY240 3.5 52.5 1.0
C12 A:JFX501 3.7 65.4 1.0
O A:HIS345 3.7 49.1 1.0
CG1 A:ILE202 3.8 54.3 1.0
N A:GLY240 3.9 50.9 1.0
CB A:GLU241 3.9 36.5 1.0
O A:HOH644 4.0 52.2 1.0
CA A:SER346 4.1 53.0 1.0
O A:GLY200 4.1 41.5 1.0
CA A:GLY240 4.2 51.1 1.0
CD2 A:PHE239 4.3 50.5 1.0
CB A:PHE239 4.3 50.1 1.0
CB A:SER346 4.4 51.5 1.0
CG A:PHE239 4.5 52.4 1.0
CD1 A:ILE202 4.5 55.9 1.0
C A:PHE239 4.6 51.4 1.0
C A:GLU241 4.6 45.6 1.0
C A:HIS345 4.6 50.7 1.0
C11 A:JFX501 4.7 70.6 1.0
N A:ILE202 4.7 54.6 1.0
CA A:PHE239 4.7 48.1 1.0
N A:SER346 4.8 50.6 1.0
CD A:GLU241 4.9 49.0 1.0
N A:ALA242 4.9 40.9 1.0
C A:PRO201 4.9 55.6 1.0
C A:SER346 5.0 53.5 1.0

Reference:

D.Inoyama, D.Awasthi, G.C.Capodagli, K.Tsotetsi, P.Sukheja, M.Zimmerman, S.G.Li, R.Jadhav, R.Russo, X.Wang, C.Grady, T.Richmann, R.Shrestha, L.Li, Y.M.Ahn, H.P.Ho Liang, M.Mina, S.Park, D.S.Perlin, N.Connell, V.Dartois, D.Alland, M.B.Neiditch, P.Kumar, J.S.Freundlich. A Preclinical Candidate Targeting Mycobacterium Tuberculosis Kasa. Cell Chem Biol 2020.
ISSN: ESSN 2451-9456
PubMed: 32197094
DOI: 10.1016/J.CHEMBIOL.2020.02.007
Page generated: Sun Dec 13 13:05:12 2020

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