Atomistry » Chlorine » PDB 4zyf-5aa2 » 5a2m
Atomistry »
  Chlorine »
    PDB 4zyf-5aa2 »
      5a2m »

Chlorine in PDB 5a2m: Thrombin Inhibitor

Enzymatic activity of Thrombin Inhibitor

All present enzymatic activity of Thrombin Inhibitor:
3.4.21.5;

Protein crystallography data

The structure of Thrombin Inhibitor, PDB code: 5a2m was solved by E.Ruehmann, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.62 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 70.114, 71.242, 72.368, 90.00, 100.13, 90.00
R / Rfree (%) 13.7 / 15.9

Other elements in 5a2m:

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

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Thrombin Inhibitor (pdb code 5a2m). 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 Inhibitor, PDB code: 5a2m:

Chlorine binding site 1 out of 1 in 5a2m

Go back to Chlorine Binding Sites List in 5a2m
Chlorine binding site 1 out of 1 in the Thrombin Inhibitor


Mono view


Stereo pair view

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

b:16.2
occ:1.00
CL H:WX51249 0.0 16.2 1.0
C21 H:WX51249 1.7 16.0 1.0
C22 H:WX51249 2.7 17.5 1.0
C20 H:WX51249 2.7 16.1 1.0
HG11 H:VAL213 2.8 14.6 1.0
HB1 H:ALA190 3.0 19.1 1.0
H H:PHE227 3.2 14.9 1.0
HA3 H:GLY226 3.3 16.9 1.0
H H:SER214 3.3 13.4 1.0
O H:PHE227 3.4 13.0 1.0
O H:TRP215 3.5 13.7 1.0
HA2 H:GLY226 3.5 16.9 1.0
H H:TRP215 3.5 14.7 1.0
N H:PHE227 3.6 12.4 1.0
CG1 H:VAL213 3.7 12.2 1.0
CA H:GLY226 3.7 14.1 1.0
HA H:VAL213 3.7 13.1 1.0
HG13 H:VAL213 3.8 14.6 1.0
N H:TRP215 3.9 12.3 1.0
CZ H:TYR228 3.9 11.8 1.0
CB H:ALA190 3.9 16.0 1.0
C H:TRP215 4.0 13.5 1.0
C23 H:WX51249 4.0 18.8 1.0
N H:SER214 4.0 11.2 1.0
C19 H:WX51249 4.0 16.7 1.0
C H:GLY226 4.0 12.9 1.0
OH H:TYR228 4.0 13.2 1.0
HB3 H:ALA190 4.0 19.1 1.0
CE2 H:TYR228 4.1 11.5 1.0
C H:PHE227 4.2 12.2 1.0
HG12 H:VAL213 4.2 14.6 1.0
HH H:TYR228 4.2 15.8 1.0
CE1 H:TYR228 4.2 11.8 1.0
HB2 H:ALA190 4.2 19.1 1.0
HE2 H:TYR228 4.3 13.8 1.0
CA H:TRP215 4.4 12.9 1.0
CA H:VAL213 4.4 10.9 1.0
H H:ALA190 4.5 18.3 1.0
HG23 H:VAL213 4.5 16.0 1.0
HE1 H:TYR228 4.5 14.2 1.0
C24 H:WX51249 4.5 19.2 1.0
OD1 H:ASP189 4.5 16.2 1.0
CA H:PHE227 4.5 12.2 1.0
C H:SER214 4.5 11.7 1.0
HA H:TRP215 4.6 15.5 1.0
CB H:VAL213 4.6 11.7 1.0
C H:VAL213 4.6 10.9 1.0
CD2 H:TYR228 4.6 10.7 1.0
N H:GLY216 4.7 14.9 1.0
CD1 H:TYR228 4.7 11.3 1.0
HA3 H:GLY216 4.8 20.4 1.0
CA H:SER214 4.8 11.1 1.0
O H:HOH2160 4.8 14.7 1.0
CG H:TYR228 5.0 10.8 1.0

Reference:

E.Ruehmann, A.Heine, G.Klebe. Thrombin Inhibition To Be Published.
Page generated: Fri Jul 26 04:56:19 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy