Chlorine in PDB 2jh6: Human Thrombin Hirugen Inhibitor Complex

All present enzymatic activity of Human Thrombin Hirugen Inhibitor Complex:
3.4.21.5;

The structure of Human Thrombin Hirugen Inhibitor Complex, PDB code: 2jh6 was solved by S.Senger, C.Chan, M.A.Convery, J.A.Hubbard, R.J.Young, G.P.Shah, N.S.Watson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 2.21
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.135, 71.683, 71.648, 90.00, 100.22, 90.00
R / Rfree (%)	16.3 / 19.6

The structure of Human Thrombin Hirugen Inhibitor Complex also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Human Thrombin Hirugen Inhibitor Complex (pdb code 2jh6). 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 Hirugen Inhibitor Complex, PDB code: 2jh6:

Chlorine binding site 1 out of 1 in the Human Thrombin Hirugen Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Thrombin Hirugen Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1249 b:29.0 occ:1.00 CL1 D:8941249 0.0 29.0 1.0 C1 D:8941249 1.7 29.2 1.0 C2 D:8941249 2.8 25.5 1.0 S6 D:8941249 3.0 25.4 1.0 O D:PHE227 3.3 24.6 1.0 CG1 D:VAL213 3.5 18.8 1.0 N D:PHE227 3.5 25.0 1.0 CA D:GLY226 3.6 25.9 1.0 O D:TRP215 3.6 25.9 1.0 CZ D:TYR228 3.7 20.2 1.0 C D:GLY226 3.8 25.5 1.0 OH D:TYR228 3.9 22.5 1.0 CE2 D:TYR228 4.0 22.9 1.0 CB D:ALA190 4.0 24.4 1.0 CE1 D:TYR228 4.0 20.5 1.0 C3 D:8941249 4.0 25.4 1.0 N D:SER214 4.0 22.6 1.0 C D:PHE227 4.1 24.9 1.0 C4 D:8941249 4.2 26.1 1.0 N D:TRP215 4.2 23.4 1.0 C D:TRP215 4.3 26.3 1.0 CA D:VAL213 4.3 21.2 1.0 CA D:PHE227 4.4 23.7 1.0 CB D:VAL213 4.5 21.3 1.0 CD2 D:TYR228 4.5 18.6 1.0 CD1 D:TYR228 4.5 20.7 1.0 OD2 D:ASP189 4.6 26.3 1.0 C D:VAL213 4.6 22.3 1.0 O D:HOH2127 4.7 24.6 1.0 CG D:TYR228 4.7 21.4 1.0 CA D:TRP215 4.8 24.8 1.0 O D:GLY226 4.8 26.1 1.0 C D:SER214 4.8 24.0 1.0 N D:GLY226 5.0 25.7 1.0 CA D:SER214 5.0 23.3 1.0

S.Senger, C.Chan, M.A.Convery, J.A.Hubbard, G.P.Shah, N.S.Watson, R.J.Young. Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett. V. 17 2931 2007.
ISSN: ISSN 0960-894X
PubMed: 17336062
DOI: 10.1016/J.BMCL.2007.02.034