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Fluorine in PDB 7qhn: Crystal Structure of Lysyl-Trna Synthetase From Mycobacterium Tuberculosis Complexed with L-Lysine and An Inhibitor

Enzymatic activity of Crystal Structure of Lysyl-Trna Synthetase From Mycobacterium Tuberculosis Complexed with L-Lysine and An Inhibitor

All present enzymatic activity of Crystal Structure of Lysyl-Trna Synthetase From Mycobacterium Tuberculosis Complexed with L-Lysine and An Inhibitor:
6.1.1.6;

Protein crystallography data

The structure of Crystal Structure of Lysyl-Trna Synthetase From Mycobacterium Tuberculosis Complexed with L-Lysine and An Inhibitor, PDB code: 7qhn was solved by A.Dawson, D.A.Robinson, J.Tamjar, P.Wyatt, S.Green, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.26 / 2.58
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 82.891, 82.891, 146.616, 90, 90, 90
R / Rfree (%) 29.3 / 33.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Lysyl-Trna Synthetase From Mycobacterium Tuberculosis Complexed with L-Lysine and An Inhibitor (pdb code 7qhn). 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 Lysyl-Trna Synthetase From Mycobacterium Tuberculosis Complexed with L-Lysine and An Inhibitor, PDB code: 7qhn:

Fluorine binding site 1 out of 1 in 7qhn

Go back to Fluorine Binding Sites List in 7qhn
Fluorine binding site 1 out of 1 in the Crystal Structure of Lysyl-Trna Synthetase From Mycobacterium Tuberculosis Complexed with L-Lysine and An Inhibitor


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 Lysyl-Trna Synthetase From Mycobacterium Tuberculosis Complexed with L-Lysine and An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:49.5
occ:1.00
 F A:C6I602 0.0 49.5 1.0
C10 A:C6I602 1.3 47.5 1.0
N2 A:C6I602 2.3 49.5 1.0
C11 A:C6I602 2.4 46.2 1.0
C12 A:C6I602 3.2 47.4 1.0
O A:C6I602 3.2 54.9 1.0
O A:THR264 3.2 54.3 1.0
C9 A:C6I602 3.6 50.6 1.0
CG A:PHE269 3.6 49.1 1.0
O A:HOH734 3.6 37.9 1.0
C7 A:C6I602 3.6 47.2 1.0
CD2 A:PHE269 3.8 51.3 1.0
CB A:PHE269 3.8 46.5 1.0
CD1 A:ILE491 4.0 64.6 1.0
N A:SER266 4.0 53.5 1.0
CD1 A:PHE269 4.1 52.1 1.0
CA A:HIS265 4.1 50.5 1.0
C8 A:C6I602 4.1 50.1 1.0
NE A:ARG481 4.1 55.4 1.0
C A:THR264 4.2 53.4 1.0
OG A:SER266 4.3 49.8 1.0
OD2 A:ASP480 4.3 43.0 1.0
CE2 A:PHE269 4.4 52.2 1.0
C A:HIS265 4.4 51.4 1.0
N A:C6I602 4.4 44.8 1.0
CG A:ARG481 4.4 50.7 1.0
N A:HIS265 4.5 52.7 1.0
CE1 A:PHE269 4.6 54.1 1.0
O A:SER266 4.7 48.5 1.0
N1 A:C6I602 4.7 51.8 1.0
NH2 A:ARG481 4.7 57.3 1.0
CZ A:PHE269 4.8 54.9 1.0
C6 A:C6I602 4.8 45.8 1.0
CZ A:ARG481 4.8 56.6 1.0
CD A:ARG481 4.8 51.9 1.0
CG A:ASP480 4.8 45.4 1.0
CB A:ASP480 4.9 44.3 1.0

Reference:

S.R.Green, S.H.Davis, S.Damerow, C.A.Engelhart, M.Mathieson, B.Baragana, D.A.Robinson, J.Tamjar, A.Dawson, F.K.Tamaki, K.I.Buchanan, J.Post, K.Dowers, S.M.Shepherd, C.Jansen, F.Zuccotto, I.H.Gilbert, O.Epemolu, J.Riley, L.Stojanovski, M.Osuna-Cabello, E.Perez-Herran, M.J.Rebollo, L.Guijarro Lopez, P.Casado Castro, I.Camino, H.C.Kim, J.M.Bean, N.Nahiyaan, K.Y.Rhee, Q.Wang, V.Y.Tan, H.I.M.Boshoff, P.J.Converse, S.Y.Li, Y.S.Chang, N.Fotouhi, A.M.Upton, E.L.Nuermberger, D.Schnappinger, K.D.Read, L.Encinas, R.H.Bates, P.G.Wyatt, L.A.T.Cleghorn. Lysyl-Trna Synthetase, A Target For Urgently Needed M. Tuberculosis Drugs. Nat Commun V. 13 5992 2022.
ISSN: ESSN 2041-1723
PubMed: 36220877
DOI: 10.1038/S41467-022-33736-5
Page generated: Fri Aug 2 11:27:52 2024

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