Atomistry » Chlorine » PDB 3csw-3d37 » 3d2k
Atomistry »
  Chlorine »
    PDB 3csw-3d37 »
      3d2k »

Chlorine in PDB 3d2k: Crystal Structure of Mouse Aurora A (ASN186->Gly, LYS240- >Arg, MET302->Leu) in Complex with [7-(2-{2-[3-(3-Chloro- Phenyl)-Ureido]-Thiazol-5-Yl}-Ethylamino)-Pyrazolo[4,3- D]Pyrimidin-1-Yl]-Acetic Acid

Enzymatic activity of Crystal Structure of Mouse Aurora A (ASN186->Gly, LYS240- >Arg, MET302->Leu) in Complex with [7-(2-{2-[3-(3-Chloro- Phenyl)-Ureido]-Thiazol-5-Yl}-Ethylamino)-Pyrazolo[4,3- D]Pyrimidin-1-Yl]-Acetic Acid

All present enzymatic activity of Crystal Structure of Mouse Aurora A (ASN186->Gly, LYS240- >Arg, MET302->Leu) in Complex with [7-(2-{2-[3-(3-Chloro- Phenyl)-Ureido]-Thiazol-5-Yl}-Ethylamino)-Pyrazolo[4,3- D]Pyrimidin-1-Yl]-Acetic Acid:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Mouse Aurora A (ASN186->Gly, LYS240- >Arg, MET302->Leu) in Complex with [7-(2-{2-[3-(3-Chloro- Phenyl)-Ureido]-Thiazol-5-Yl}-Ethylamino)-Pyrazolo[4,3- D]Pyrimidin-1-Yl]-Acetic Acid, PDB code: 3d2k was solved by R.A.Elling, J.D.Oslob, C.Yu, M.J.Romanowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.50
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 83.310, 83.310, 77.586, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 27.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mouse Aurora A (ASN186->Gly, LYS240- >Arg, MET302->Leu) in Complex with [7-(2-{2-[3-(3-Chloro- Phenyl)-Ureido]-Thiazol-5-Yl}-Ethylamino)-Pyrazolo[4,3- D]Pyrimidin-1-Yl]-Acetic Acid (pdb code 3d2k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Mouse Aurora A (ASN186->Gly, LYS240- >Arg, MET302->Leu) in Complex with [7-(2-{2-[3-(3-Chloro- Phenyl)-Ureido]-Thiazol-5-Yl}-Ethylamino)-Pyrazolo[4,3- D]Pyrimidin-1-Yl]-Acetic Acid, PDB code: 3d2k:

Chlorine binding site 1 out of 1 in 3d2k

Go back to Chlorine Binding Sites List in 3d2k
Chlorine binding site 1 out of 1 in the Crystal Structure of Mouse Aurora A (ASN186->Gly, LYS240- >Arg, MET302->Leu) in Complex with [7-(2-{2-[3-(3-Chloro- Phenyl)-Ureido]-Thiazol-5-Yl}-Ethylamino)-Pyrazolo[4,3- D]Pyrimidin-1-Yl]-Acetic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mouse Aurora A (ASN186->Gly, LYS240- >Arg, MET302->Leu) in Complex with [7-(2-{2-[3-(3-Chloro- Phenyl)-Ureido]-Thiazol-5-Yl}-Ethylamino)-Pyrazolo[4,3- D]Pyrimidin-1-Yl]-Acetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:47.9
occ:1.00
CL25 A:AK41 0.0 47.9 1.0
C23 A:AK41 1.8 47.7 1.0
C22 A:AK41 2.8 48.0 1.0
C24 A:AK41 2.8 45.6 1.0
O A:VAL187 3.5 58.3 1.0
N A:LEU191 3.6 54.7 1.0
CG2 A:VAL187 3.7 53.8 1.0
CB A:LEU191 3.8 54.9 1.0
CA A:LEU191 3.9 51.5 1.0
CB A:GLN190 3.9 57.6 1.0
CB A:VAL187 3.9 55.4 1.0
C21 A:AK41 4.1 48.7 1.0
C19 A:AK41 4.1 45.4 1.0
C A:GLN190 4.2 57.8 1.0
CD1 A:LEU191 4.3 56.6 1.0
C A:VAL187 4.3 57.5 1.0
CD2 A:LEU182 4.5 49.0 1.0
OE1 A:GLN190 4.6 61.5 1.0
C20 A:AK41 4.6 47.8 1.0
CG A:LEU191 4.6 56.2 1.0
CA A:GLN190 4.7 57.8 1.0
CA A:VAL187 4.8 57.2 1.0
O A:GLN190 4.9 58.9 1.0
CA A:GLY289 4.9 49.9 1.0

Reference:

J.D.Oslob, C.Yu, D.A.Allen, S.Baskaran, J.Maung, E.F.Michelotti, R.A.Elling, M.J.Romanowski. Discovery of Aurora-A-Selective Inhibitors To Be Published.
Page generated: Sat Dec 12 09:37:41 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy