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Bromine in PDB 4bqh: Crystal Structure of the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei in Complex with Inhibitor

Enzymatic activity of Crystal Structure of the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei in Complex with Inhibitor

All present enzymatic activity of Crystal Structure of the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei in Complex with Inhibitor:
2.7.7.23;

Protein crystallography data

The structure of Crystal Structure of the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei in Complex with Inhibitor, PDB code: 4bqh was solved by W.Fang, O.G.Raimi, D.M.F.Vanaalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.75
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 59.930, 103.000, 187.140, 90.00, 90.00, 90.00
R / Rfree (%) 18.923 / 22.101

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei in Complex with Inhibitor (pdb code 4bqh). 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 the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei in Complex with Inhibitor, PDB code: 4bqh:

Bromine binding site 1 out of 1 in 4bqh

Go back to Bromine Binding Sites List in 4bqh
Bromine binding site 1 out of 1 in the Crystal Structure of the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei in Complex with Inhibitor


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 the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1539

b:15.3
occ:1.00
 BRA A:9VU1539 0.0 15.3 1.0
CAE A:9VU1539 1.9 14.0 1.0
CAF A:9VU1539 2.8 14.6 1.0
CAD A:9VU1539 2.9 13.9 1.0
CAJ A:9VU1539 3.1 14.8 1.0
CAI A:9VU1539 3.4 14.0 1.0
CAM A:9VU1539 3.4 13.7 1.0
CB A:MET370 3.5 12.2 1.0
OAL A:9VU1539 3.6 15.8 1.0
CG A:MET370 3.7 12.6 1.0
O A:HOH2231 3.7 12.4 1.0
SD A:MET370 3.7 12.9 1.0
C A:MET370 3.8 11.9 1.0
N A:LYS371 3.8 12.1 1.0
O A:MET370 4.0 12.0 1.0
CAC A:9VU1539 4.1 13.6 1.0
CAA A:9VU1539 4.1 14.3 1.0
O A:ALA367 4.2 12.0 1.0
CB A:ALA239 4.2 12.1 1.0
CA A:MET370 4.2 12.1 1.0
CA A:LYS371 4.2 12.8 1.0
O A:HOH2065 4.2 11.9 1.0
CAO A:9VU1539 4.3 13.4 1.0
CG A:LYS371 4.3 15.8 1.0
N A:ALA239 4.4 11.0 1.0
CA A:ALA239 4.5 11.3 1.0
CAB A:9VU1539 4.6 13.8 1.0
CAV A:9VU1539 4.7 12.8 1.0
CAH A:9VU1539 4.8 14.0 1.0
CB A:PHE238 4.8 11.3 1.0
CE A:MET370 4.8 12.3 1.0
OAP A:9VU1539 4.8 14.8 1.0
CAQ A:9VU1539 4.9 13.2 1.0
CB A:LYS371 4.9 13.9 1.0

Reference:

M.D.Urbaniak, I.T.Collie, W.Fang, T.Aristotelous, S.Eskilsson, O.G.Raimi, J.Harrison, I.Hopkins Navratolova, J.A.Frearson, D.M.F.Van Aalten, M.A.J.Ferguson. A Novel Allosteric Inhibitor of the Uridine Diphosphate N- Acetylglucosamine Pyrophosphorylase From Trypanosoma Brucei. Acs Chem.Biol. V. 8 1981 2013.
ISSN: ISSN 1554-8929
PubMed: 23834437
DOI: 10.1021/CB400411X
Page generated: Wed Jul 10 20:52:53 2024

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