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Bromine in PDB 6z0q: Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2

Enzymatic activity of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2

All present enzymatic activity of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2:
6.3.2.6;

Protein crystallography data

The structure of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2, PDB code: 6z0q was solved by S.E.Thomas, S.Charoensutthivarakul, A.G.Coyne, C.Abell, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.88 / 1.54
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.247, 65.201, 49.051, 90, 110.73, 90
R / Rfree (%) 18.7 / 23.1

Other elements in 6z0q:

The structure of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2 (pdb code 6z0q). 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 Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2, PDB code: 6z0q:

Bromine binding site 1 out of 1 in 6z0q

Go back to Bromine Binding Sites List in 6z0q
Bromine binding site 1 out of 1 in the Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2


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 Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Fragment 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:35.0
occ:1.00
 BR1 A:Q4K301 0.0 35.0 1.0
C13 A:Q4K301 1.9 29.6 1.0
C15 A:Q4K301 2.8 34.8 1.0
C12 A:Q4K301 2.9 36.4 1.0
N A:GLY14 3.5 27.9 1.0
O A:ARG17 3.6 25.6 1.0
C A:SER13 3.8 32.6 1.0
CA A:GLU18 3.8 19.5 1.0
CG A:ARG17 3.8 24.8 1.0
C A:GLU18 3.8 20.7 1.0
O A:ALA12 3.9 24.9 1.0
N A:LEU19 3.9 20.3 1.0
C A:ARG17 3.9 23.2 1.0
CA A:SER13 4.0 28.5 0.5
CA A:SER13 4.0 28.5 0.5
C A:ALA12 4.0 28.2 1.0
N A:GLU18 4.0 19.8 1.0
CB A:LEU19 4.0 23.6 1.0
N A:SER13 4.1 27.4 1.0
N16 A:Q4K301 4.1 31.0 1.0
CA A:GLY14 4.1 27.6 1.0
C11 A:Q4K301 4.2 34.5 1.0
NE A:ARG17 4.3 28.4 1.0
CB A:ALA12 4.3 27.6 1.0
CD A:ARG17 4.3 30.2 1.0
O A:SER13 4.4 37.2 1.0
O A:GLU18 4.4 22.0 1.0
CA A:LEU19 4.6 20.7 1.0
CB A:ARG17 4.6 25.2 1.0
C10 A:Q4K301 4.7 38.9 1.0
CA A:ALA12 4.8 25.3 1.0
CA A:ARG17 4.9 23.4 1.0

Reference:

S.E.Thomas, S.Charoensutthivarakul, A.G.Coyne, C.Abell, T.L.Blundell. Fragment-Based Design and Discovery of Novel Inhibitors Targeting Mycobacterium Abscessus Saicar Synthetase (Purc) To Be Published.
Page generated: Thu Jul 11 03:14:35 2024

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