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Bromine in PDB 3dj5: Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 290.

Enzymatic activity of Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 290.

All present enzymatic activity of Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 290.:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 290., PDB code: 3dj5 was solved by R.A.Elling, D.A.Erlanson, W.Yang, B.T.Tangonan, S.K.Hansen, M.J.Romanowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.80
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 97.738, 97.738, 62.224, 90.00, 90.00, 120.00
R / Rfree (%) 20.7 / 24.3

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 290. (pdb code 3dj5). 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 Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 290., PDB code: 3dj5:

Bromine binding site 1 out of 1 in 3dj5

Go back to Bromine Binding Sites List in 3dj5
Bromine binding site 1 out of 1 in the Crystal Structure of the Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 290.


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 Mouse Aurora-A Catalytic Domain (ASN186->Gly, LYS240->Arg, MET302->Leu) in Complex with Compound 290. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:38.5
occ:1.00
 BR30 A:AK51 0.0 38.5 1.0
C6 A:AK51 1.9 20.7 1.0
C7 A:AK51 2.9 23.7 1.0
C5 A:AK51 2.9 19.9 1.0
N31 A:AK51 3.0 22.5 1.0
S4 A:AK51 3.2 18.9 1.0
CD2 A:LEU276 3.9 26.9 1.0
CE2 A:PHE157 4.1 23.3 1.0
N8 A:AK51 4.1 23.1 1.0
N10 A:AK51 4.1 22.9 1.0
N A:GLY153 4.2 19.2 1.0
CA A:GLY153 4.2 22.3 1.0
CD2 A:PHE157 4.2 22.2 1.0
CB A:LEU152 4.3 19.2 1.0
O A:HOH526 4.5 45.1 1.0
C9 A:AK51 4.6 24.4 1.0
C A:LEU152 4.6 19.8 1.0
O A:HOH474 4.7 38.4 1.0
CD1 A:LEU276 4.7 21.5 1.0
CZ A:PHE157 4.8 21.7 1.0
C2 A:AK51 4.9 16.6 1.0
CD1 A:LEU152 5.0 21.3 1.0
CG A:LEU276 5.0 22.4 1.0
O A:HOH752 5.0 53.4 1.0

Reference:

R.A.Elling, D.A Erlanson, W.Yang, B.T.Tangonan, S.K.Hansen, M.J.Romanowski. New Fragment-Based Drug Discovery To Be Published.
Page generated: Wed Jul 10 19:17:09 2024

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