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Fluorine in PDB 5ccz: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine, PDB code: 5ccz 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) 35.88 / 2.14
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 81.511, 81.511, 227.029, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 25

Other elements in 5ccz:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine (pdb code 5ccz). 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 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine, PDB code: 5ccz:

Fluorine binding site 1 out of 1 in 5ccz

Go back to Fluorine Binding Sites List in 5ccz
Fluorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine


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 3-(4-Fluorophenyl)-4-Methyl-1H-Pyrazol-5-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:44.8
occ:1.00
 F12 A:50C801 0.0 44.8 1.0
C11 A:50C801 1.4 37.1 1.0
C10 A:50C801 2.4 32.5 1.0
C13 A:50C801 2.4 30.1 1.0
O A:VAL118 3.0 25.9 1.0
CD A:PRO120 3.4 22.5 1.0
C14 A:50C801 3.6 32.9 1.0
C09 A:50C801 3.6 33.0 1.0
CA A:VAL119 3.7 22.6 1.0
C A:VAL118 3.9 25.6 1.0
O A:HOH1327 4.0 43.0 1.0
C08 A:50C801 4.2 29.4 1.0
N A:VAL119 4.2 24.5 1.0
O A:PRO543 4.2 25.9 1.0
SD A:MET631 4.3 41.1 1.0
N A:PRO120 4.3 25.7 1.0
CG A:PRO120 4.3 28.3 1.0
CG2 A:VAL119 4.4 29.1 1.0
CB A:VAL119 4.4 27.4 1.0
CE A:MET631 4.5 36.4 1.0
C A:VAL119 4.5 23.9 1.0
CB A:ALA619 4.6 31.1 1.0
CG A:MET631 4.8 33.1 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 12:20:07 2020

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