Atomistry » Chlorine » PDB 3sei-3sm9 » 3shc
Atomistry »
  Chlorine »
    PDB 3sei-3sm9 »
      3shc »

Chlorine in PDB 3shc: Human Thrombin in Complex with UBTHR101

Enzymatic activity of Human Thrombin in Complex with UBTHR101

All present enzymatic activity of Human Thrombin in Complex with UBTHR101:
3.4.21.5;

Protein crystallography data

The structure of Human Thrombin in Complex with UBTHR101, PDB code: 3shc was solved by A.Biela, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.84 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 70.400, 71.400, 72.800, 90.00, 100.60, 90.00
R / Rfree (%) 15.9 / 19.7

Other elements in 3shc:

The structure of Human Thrombin in Complex with UBTHR101 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Thrombin in Complex with UBTHR101 (pdb code 3shc). 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 Human Thrombin in Complex with UBTHR101, PDB code: 3shc:

Chlorine binding site 1 out of 1 in 3shc

Go back to Chlorine Binding Sites List in 3shc
Chlorine binding site 1 out of 1 in the Human Thrombin in Complex with UBTHR101


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Thrombin in Complex with UBTHR101 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl3

b:30.9
occ:1.00
CL27 H:B013 0.0 30.9 1.0
C19 H:B013 1.8 32.6 1.0
C18 H:B013 2.8 37.8 1.0
C20 H:B013 2.8 27.7 1.0
O H:TRP215 3.2 18.3 1.0
O H:PHE227 3.3 12.1 1.0
N H:PHE227 3.5 11.7 1.0
CG1 H:VAL213 3.6 11.2 1.0
CA H:GLY226 3.7 17.7 1.0
C H:TRP215 3.8 19.4 1.0
N H:TRP215 3.8 14.8 1.0
N H:SER214 3.9 12.7 1.0
C H:GLY226 4.0 16.3 1.0
CB H:ALA190 4.1 18.4 1.0
C17 H:B013 4.1 38.9 1.0
C13 H:B013 4.1 31.7 1.0
C H:PHE227 4.1 14.3 1.0
CZ H:TYR228 4.2 15.8 1.0
CA H:TRP215 4.3 20.7 1.0
OH H:TYR228 4.3 17.3 1.0
CE1 H:TYR228 4.3 17.8 1.0
CA H:PHE227 4.5 10.9 1.0
CE2 H:TYR228 4.5 11.4 1.0
C H:SER214 4.5 14.3 1.0
CA H:VAL213 4.5 9.9 1.0
N H:GLY216 4.5 18.8 1.0
CB H:VAL213 4.6 11.1 1.0
C H:VAL213 4.6 17.3 1.0
N24 H:B013 4.6 37.9 1.0
OD1 H:ASP189 4.6 19.9 1.0
CA H:SER214 4.8 14.3 1.0
CD1 H:TYR228 4.8 17.6 1.0
O H:HOH1048 4.9 16.5 1.0
CD2 H:TYR228 4.9 10.2 1.0
CA H:GLY216 5.0 16.7 1.0
O H:GLY226 5.0 13.7 1.0

Reference:

A.Biela, M.Khayat, H.Tan, J.Kong, A.Heine, D.Hangauer, G.Klebe. Impact of Ligand and Protein Desolvation on Ligand Binding to the S1 Pocket of Thrombin J.Mol.Biol. V. 418 350 2012.
ISSN: ISSN 0022-2836
PubMed: 22366545
DOI: 10.1016/J.JMB.2012.01.054
Page generated: Sat Dec 12 10:09:59 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy