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Fluorine in PDB 6wqs: Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839

Enzymatic activity of Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839

All present enzymatic activity of Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839:
6.1.1.10;

Protein crystallography data

The structure of Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839, PDB code: 6wqs was solved by G.F.Mercaldi, C.E.Benedetti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.96 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.161, 84.418, 95.823, 90, 90, 90
R / Rfree (%) 21 / 25.5

Other elements in 6wqs:

The structure of Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839 also contains other interesting chemical elements:

Bromine (Br) 1 atom
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839 (pdb code 6wqs). 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 Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839, PDB code: 6wqs:

Fluorine binding site 1 out of 1 in 6wqs

Go back to Fluorine Binding Sites List in 6wqs
Fluorine binding site 1 out of 1 in the Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Xanthomonas Citri Methionyl-Trna Synthetase in Complex with REP8839 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F602

b:30.9
occ:1.00
 F1 A:U7S602 0.0 30.9 1.0
C6 A:U7S602 1.4 24.9 1.0
C7 A:U7S602 2.3 23.7 1.0
C4 A:U7S602 2.4 23.8 1.0
S1 A:U7S602 2.9 24.8 1.0
N A:LEU11 3.1 24.2 1.0
OH A:TYR260 3.1 21.5 1.0
CA A:ALA10 3.4 23.6 1.0
CZ A:TYR260 3.7 24.1 1.0
C A:ALA10 3.7 25.5 1.0
CB A:ALA10 3.7 23.2 1.0
C5 A:U7S602 3.8 23.9 1.0
CD2 A:LEU11 3.8 30.7 1.0
CG A:LEU11 3.9 31.1 1.0
CE1 A:TYR260 3.9 22.1 1.0
CA A:LEU11 4.2 26.6 1.0
CB A:LEU11 4.3 26.8 1.0
CE1 A:HIS299 4.4 27.7 1.0
NE2 A:HIS299 4.4 25.0 1.0
C3 A:U7S602 4.5 24.6 1.0
O A:LEU11 4.6 25.4 1.0
CE2 A:TYR260 4.6 23.8 1.0
N A:ALA10 4.6 22.6 1.0
C2 A:U7S602 4.7 24.5 1.0
CD1 A:ILE295 4.7 32.8 1.0
O A:THR9 4.9 27.0 1.0
BR1 A:U7S602 4.9 36.5 1.0
O A:ALA10 4.9 24.9 1.0
C A:LEU11 4.9 25.1 1.0

Reference:

G.F.Mercaldi, M.De Oliveira Andrade, J.De Lima Zanella, A.T.Cordeiro, C.E.Benedetti. Molecular Basis For Diaryldiamine Selectivity and Competition with Trna in A Type-2METHIONYL-Trna Synthetase From A Gram-Negative Bacterium J.Biol.Chem. 2021.
ISSN: ESSN 1083-351X
Page generated: Fri Aug 2 03:51:33 2024

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