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Bromine in PDB 6t65: Crystal Structure of Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution

Enzymatic activity of Crystal Structure of Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution

All present enzymatic activity of Crystal Structure of Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution:
1.1.1.100;

Protein crystallography data

The structure of Crystal Structure of Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution, PDB code: 6t65 was solved by R.Rudraraju, R.Schnell, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.00 / 2.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.065, 128.738, 65.747, 90.00, 113.06, 90.00
R / Rfree (%) 21.2 / 24

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution (pdb code 6t65). 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 Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution, PDB code: 6t65:

Bromine binding site 1 out of 1 in 6t65

Go back to Bromine Binding Sites List in 6t65
Bromine binding site 1 out of 1 in the Crystal Structure of Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution


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 Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br301

b:97.3
occ:1.00
 BR1 C:MLH301 0.0 97.3 1.0
CAC C:MLH301 1.9 76.3 1.0
CAD C:MLH301 2.8 69.9 1.0
CAB C:MLH301 2.9 71.0 1.0
OAJ C:MLH301 3.0 69.6 1.0
O D:LEU111 3.3 43.2 1.0
NE1 C:TRP103 3.5 62.2 1.0
C D:LEU111 3.6 48.7 1.0
CB D:LEU111 3.8 50.5 1.0
N D:LYS112 3.8 49.2 1.0
CA D:LYS112 3.9 54.1 1.0
CAE C:MLH301 4.1 67.6 1.0
CZ D:PHE161 4.1 48.9 1.0
CAA C:MLH301 4.2 68.0 1.0
CA D:LEU111 4.3 49.9 1.0
CE2 C:TRP103 4.3 63.7 1.0
CB D:TYR115 4.3 42.7 1.0
CE1 D:PHE161 4.3 48.4 1.0
CZ2 C:TRP103 4.3 66.2 1.0
CE2 D:PHE161 4.5 48.0 1.0
CAF C:MLH301 4.6 67.3 1.0
CD1 C:TRP103 4.6 61.2 1.0
CG D:LYS112 4.7 67.3 1.0
CB D:LYS112 4.8 59.9 1.0
CG D:TYR115 4.8 44.0 1.0
CD2 C:LEU107 4.8 66.5 1.0
CD2 D:LEU111 4.8 53.2 1.0
CD1 D:PHE161 4.9 47.4 1.0
CG D:LEU111 4.9 51.8 1.0

Reference:

R.Rudraraju, R.Schnell, G.Schneider, P.Vella. Crystal Structure of Acinetobacter Baumannii Fabg in Complex with An Allosteric Inhibitor at 2.35 A Resolution To Be Published.
Page generated: Thu Jul 11 02:41:29 2024

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