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Chlorine in PDB 2jh6: Human Thrombin Hirugen Inhibitor Complex

Enzymatic activity of Human Thrombin Hirugen Inhibitor Complex

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

Protein crystallography data

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

Other elements in 2jh6:

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

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

Chlorine Binding Sites:

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 2jh6

Go back to Chlorine Binding Sites List in 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

Reference:

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
Page generated: Sat Dec 12 09:10:47 2020

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