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Bromine in PDB 5cc3: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid, PDB code: 5cc3 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) 44.46 / 2.20
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.236, 78.236, 224.145, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 24.9

Other elements in 5cc3:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid (pdb code 5cc3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid, PDB code: 5cc3:

Bromine binding site 1 out of 1 in 5cc3

Go back to Bromine Binding Sites List in 5cc3
Bromine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 6-Bromo-1H-Indole-2-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br803

b:66.7
occ:1.00
 BR10 A:4ZU803 0.0 66.7 1.0
C09 A:4ZU803 2.0 30.0 1.0
C11 A:4ZU803 2.9 30.5 1.0
C08 A:4ZU803 2.9 27.3 1.0
O A:VAL118 3.6 25.2 1.0
CB A:ALA619 3.8 26.6 1.0
O A:HOH1448 3.8 47.0 1.0
O A:HOH1175 3.8 43.9 1.0
CD A:PRO120 3.8 26.0 1.0
CG A:MET631 3.9 39.9 1.0
SD A:MET631 4.2 51.2 1.0
C12 A:4ZU803 4.2 29.9 1.0
C07 A:4ZU803 4.2 29.5 1.0
CG A:PRO120 4.3 29.6 1.0
CA A:VAL119 4.6 24.8 1.0
CB A:SER275 4.6 21.9 1.0
C A:VAL118 4.6 24.7 1.0
O A:HOH923 4.6 36.9 1.0
O A:PRO543 4.7 33.6 1.0
C06 A:4ZU803 4.8 30.5 1.0
N A:PRO120 4.8 24.2 1.0
N A:VAL119 5.0 24.3 1.0

Reference:

H.-L.Huang, I.V.Krieger, V.B.Gawandi, M.Parai, J.C.Sacchettini. Crystal Structures of Fragment-Bound Malate Synthase From Mycobacterium Tuberculosis Provide Insights Into Mechanism and Potential Inhibitor Designs To Be Published.
Page generated: Sat Dec 12 02:25:10 2020

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