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Fluorine in PDB 5c9x: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid, PDB code: 5c9x was solved by H.-L.Huang, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.14 / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.359, 79.359, 225.310, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 23.7

Other elements in 5c9x:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid (pdb code 5c9x). 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 Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid, PDB code: 5c9x:

Fluorine binding site 1 out of 1 in 5c9x

Go back to Fluorine Binding Sites List in 5c9x
Fluorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid


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 Malate Synthase in Complex with 2,4-Dichloro-5-Fluorobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F804

b:35.9
occ:1.00
 F07 A:4Z4804 0.0 35.9 1.0
C06 A:4Z4804 1.3 30.6 1.0
C08 A:4Z4804 2.4 34.2 1.0
C05 A:4Z4804 2.4 36.4 1.0
CL09 A:4Z4804 2.9 49.8 1.0
CG1 A:VAL118 3.1 26.4 1.0
CB A:SER275 3.3 32.1 1.0
OG A:SER275 3.5 31.4 1.0
O A:VAL118 3.5 32.7 1.0
CB A:VAL118 3.6 30.1 1.0
C04 A:4Z4804 3.6 36.5 1.0
C10 A:4Z4804 3.7 35.3 1.0
C A:VAL118 3.7 31.3 1.0
N A:VAL119 4.0 29.9 1.0
OD2 A:ASP271 4.1 27.7 1.0
C11 A:4Z4804 4.1 37.0 1.0
CA A:VAL119 4.3 29.1 1.0
CA A:VAL118 4.3 22.9 1.0
C A:VAL119 4.5 31.2 1.0
CE A:MET515 4.5 28.7 1.0
CD A:PRO120 4.7 30.7 1.0
N A:PRO120 4.7 29.7 1.0
CA A:SER275 4.7 30.7 1.0
CB A:ASP271 4.7 22.6 1.0
O A:HOH1197 4.7 41.6 1.0
CG A:ASP271 4.8 26.9 1.0
C02 A:4Z4804 4.9 39.3 1.0
NH2 A:ARG339 4.9 27.5 1.0
CG2 A:VAL118 4.9 31.4 1.0
O A:VAL119 5.0 27.0 1.0

Reference:

H.L.Huang, I.V.Krieger, M.K.Parai, V.B.Gawandi, J.C.Sacchettini. Mycobacterium Tuberculosis Malate Synthase Structures with Fragments Reveal A Portal For Substrate/Product Exchange. J. Biol. Chem. V. 291 27421 2016.
ISSN: ESSN 1083-351X
PubMed: 27738104
DOI: 10.1074/JBC.M116.750877
Page generated: Sun Dec 13 12:20:01 2020

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