Atomistry » Chlorine » PDB 2p5v-2pfx » 2p93
Atomistry »
  Chlorine »
    PDB 2p5v-2pfx »
      2p93 »

Chlorine in PDB 2p93: Factor Xa in Complex with the Inhibitor 5-Chloro-N-(2-(4-(2- Oxopyridin-1(2H)-Yl)Benzamido)Ethyl)Thiophene-2-Carboxamide

Enzymatic activity of Factor Xa in Complex with the Inhibitor 5-Chloro-N-(2-(4-(2- Oxopyridin-1(2H)-Yl)Benzamido)Ethyl)Thiophene-2-Carboxamide

All present enzymatic activity of Factor Xa in Complex with the Inhibitor 5-Chloro-N-(2-(4-(2- Oxopyridin-1(2H)-Yl)Benzamido)Ethyl)Thiophene-2-Carboxamide:
3.4.21.6;

Protein crystallography data

The structure of Factor Xa in Complex with the Inhibitor 5-Chloro-N-(2-(4-(2- Oxopyridin-1(2H)-Yl)Benzamido)Ethyl)Thiophene-2-Carboxamide, PDB code: 2p93 was solved by C.-H.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.75 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.810, 72.410, 79.000, 90.00, 90.00, 90.00
R / Rfree (%) 25.1 / 30.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Factor Xa in Complex with the Inhibitor 5-Chloro-N-(2-(4-(2- Oxopyridin-1(2H)-Yl)Benzamido)Ethyl)Thiophene-2-Carboxamide (pdb code 2p93). 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 Factor Xa in Complex with the Inhibitor 5-Chloro-N-(2-(4-(2- Oxopyridin-1(2H)-Yl)Benzamido)Ethyl)Thiophene-2-Carboxamide, PDB code: 2p93:

Chlorine binding site 1 out of 1 in 2p93

Go back to Chlorine Binding Sites List in 2p93
Chlorine binding site 1 out of 1 in the Factor Xa in Complex with the Inhibitor 5-Chloro-N-(2-(4-(2- Oxopyridin-1(2H)-Yl)Benzamido)Ethyl)Thiophene-2-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor Xa in Complex with the Inhibitor 5-Chloro-N-(2-(4-(2- Oxopyridin-1(2H)-Yl)Benzamido)Ethyl)Thiophene-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:25.1
occ:1.00
 CL27 A:ME11 0.0 25.1 1.0
C1 A:ME11 1.8 31.6 1.0
C2 A:ME11 2.6 30.4 1.0
S5 A:ME11 3.3 41.0 1.0
N A:ILE227 3.5 24.6 1.0
CZ A:TYR228 3.6 20.4 1.0
O A:TRP215 3.6 26.5 1.0
CB A:ALA190 3.6 27.0 1.0
CA A:GLY226 3.6 29.0 1.0
O A:ILE227 3.7 21.8 1.0
CE1 A:TYR228 3.7 21.5 1.0
OH A:TYR228 3.8 20.7 1.0
C3 A:ME11 3.8 33.0 1.0
C A:GLY226 3.8 26.6 1.0
CE2 A:TYR228 4.0 22.5 1.0
CG1 A:VAL213 4.0 22.2 1.0
C A:ILE227 4.2 23.9 1.0
C4 A:ME11 4.2 35.9 1.0
CD1 A:TYR228 4.2 21.8 1.0
OD1 A:ASP189 4.3 32.1 1.0
C A:TRP215 4.3 26.9 1.0
CA A:ILE227 4.5 23.5 1.0
CD2 A:TYR228 4.5 20.9 1.0
N A:TRP215 4.5 23.1 1.0
N A:SER214 4.5 23.4 1.0
O A:HOH283 4.6 30.1 1.0
CG A:TYR228 4.6 21.1 1.0
CA A:ALA190 4.8 30.6 1.0
CA A:VAL213 4.8 21.4 1.0
O A:GLY226 4.8 28.1 1.0
CA A:TRP215 4.9 27.5 1.0
N A:ALA190 4.9 29.1 1.0
CB A:VAL213 5.0 19.3 1.0

Reference:

J.X.Qiao, C.-H.Chang, D.L.Cheney, P.E.Morin, G.Z.Wang, S.R.King, T.C.Wang, A.R.Rendina, J.M.Luettgen, R.M.Knabb, R.R.Wexler, P.Y.S.Lam. Sar and X-Ray Structures of Enantiopure 1,2-Cis-(1R,2S)-Cyclopentyldiamine and Cyclohexyldiamine Derivatives As Inhibitors of Coagulation Factor Xa Bioorg.Med.Chem.Lett. V. 17 4419 2007.
ISSN: ISSN 0960-894X
PubMed: 17588746
DOI: 10.1016/J.BMCL.2007.06.029
Page generated: Sat Jul 20 10:02:08 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy