Atomistry » Chlorine » PDB 2c5u-2chw » 2c8w
Atomistry »
  Chlorine »
    PDB 2c5u-2chw »
      2c8w »

Chlorine in PDB 2c8w: Thrombin Inhibitors

Enzymatic activity of Thrombin Inhibitors

All present enzymatic activity of Thrombin Inhibitors:
3.4.21.5;

Protein crystallography data

The structure of Thrombin Inhibitors, PDB code: 2c8w was solved by N.Howard, C.Abell, W.Blakemore, R.Carr, G.Chessari, M.Congreve, S.Howard, H.Jhoti, C.W.Murray, L.C.A.Seavers, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.71 / 1.96
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 70.579, 71.906, 72.200, 90.00, 100.42, 90.00
R / Rfree (%) 16.4 / 21.9

Other elements in 2c8w:

The structure of Thrombin Inhibitors also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Thrombin Inhibitors (pdb code 2c8w). 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 Thrombin Inhibitors, PDB code: 2c8w:

Chlorine binding site 1 out of 1 in 2c8w

Go back to Chlorine Binding Sites List in 2c8w
Chlorine binding site 1 out of 1 in the Thrombin Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thrombin Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1249

b:14.3
occ:1.00
CL33 B:C7M1249 0.0 14.3 1.0
C32 B:C7M1249 1.7 12.9 1.0
C34 B:C7M1249 2.7 16.7 1.0
C31 B:C7M1249 2.7 13.3 1.0
H63 B:C7M1249 2.9 15.3 1.0
H62 B:C7M1249 2.9 13.3 1.0
CA B:GLY226 3.5 11.6 1.0
O B:PHE227 3.5 11.0 1.0
O B:TRP215 3.6 12.4 1.0
N B:PHE227 3.6 11.2 1.0
CG1 B:VAL213 3.7 7.9 1.0
C B:GLY226 3.8 11.2 1.0
CZ B:TYR228 3.9 10.6 1.0
OH B:TYR228 3.9 12.2 1.0
C35 B:C7M1249 4.0 15.4 1.0
C30 B:C7M1249 4.0 13.9 1.0
C B:TRP215 4.1 14.8 1.0
CE1 B:TYR228 4.1 11.2 1.0
CB B:ALA190 4.1 9.5 1.0
CE2 B:TYR228 4.2 12.9 1.0
C B:PHE227 4.3 11.4 1.0
N B:TRP215 4.3 11.3 1.0
OD1 B:ASP189 4.3 12.0 1.0
N B:SER214 4.3 10.2 1.0
O B:HOH2332 4.5 13.2 1.0
C36 B:C7M1249 4.5 15.4 1.0
CA B:PHE227 4.5 9.3 1.0
CA B:VAL213 4.6 8.8 1.0
CA B:TRP215 4.6 12.4 1.0
N B:GLY216 4.7 15.0 1.0
CB B:VAL213 4.7 9.0 1.0
CD1 B:TYR228 4.7 10.6 1.0
CD2 B:TYR228 4.8 9.4 1.0
N B:GLY226 4.8 13.8 1.0
O B:GLY226 4.9 11.0 1.0
C B:VAL213 4.9 8.8 1.0
H64 B:C7M1249 4.9 15.8 1.0
CA B:GLY216 4.9 13.7 1.0
C B:SER214 4.9 11.2 1.0

Reference:

N.Howard, C.Abell, W.Blakemore, G.Chessari, M.Congreve, S.Howard, H.Jhoti, C.W.Murray, L.C.A.Seavers, R.L.M.Van Montfort. Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors J.Med.Chem. V. 49 1346 2006.
ISSN: ISSN 0022-2623
PubMed: 16480269
DOI: 10.1021/JM050850V
Page generated: Sat Dec 12 09:01:57 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