Chlorine in PDB 6zgo: Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L)

Enzymatic activity of Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L)

All present enzymatic activity of Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L):
3.4.21.5;

Protein crystallography data

The structure of Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L), PDB code: 6zgo was solved by A.Sandner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.54 / 1.79
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 70.114, 70.867, 72.606, 90, 100.57, 90
R / Rfree (%) 18.5 / 22.5

Other elements in 6zgo:

The structure of Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L) also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L) (pdb code 6zgo). 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 in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L), PDB code: 6zgo:

Chlorine binding site 1 out of 1 in 6zgo

Go back to Chlorine Binding Sites List in 6zgo
Chlorine binding site 1 out of 1 in the Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl306

b:31.3
occ:1.00
 CL H:QKE306 0.0 31.3 1.0
C18 H:QKE306 1.7 33.0 1.0
O2 H:QKE306 2.7 32.5 1.0
C17 H:QKE306 2.8 33.0 1.0
O H:PHE227 3.2 22.7 1.0
O H:TRP215 3.3 23.8 1.0
CG1 H:VAL213 3.5 24.2 1.0
N H:PHE227 3.5 21.3 1.0
N H:TRP215 3.7 24.6 1.0
CA H:GLY226 3.8 23.3 1.0
C H:TRP215 3.8 25.1 1.0
N H:SER214 3.8 23.0 1.0
C15 H:QKE306 3.9 31.7 1.0
C16 H:QKE306 4.0 32.5 1.0
C H:GLY226 4.0 22.0 1.0
C H:PHE227 4.1 21.4 1.0
CZ H:TYR228 4.1 21.9 1.0
CB H:ALA190 4.1 33.8 1.0
CA H:TRP215 4.2 25.1 1.0
OH H:TYR228 4.3 22.1 1.0
C H:SER214 4.3 23.9 1.0
CE1 H:TYR228 4.4 20.0 1.0
CE2 H:TYR228 4.4 20.6 1.0
CA H:VAL213 4.4 23.7 1.0
CA H:PHE227 4.4 20.9 1.0
C H:VAL213 4.5 23.8 1.0
CB H:VAL213 4.5 24.4 1.0
N H:GLY216 4.6 27.1 1.0
CA H:SER214 4.6 22.7 1.0
CD1 H:TYR228 4.8 19.3 1.0
CD2 H:TYR228 4.8 19.6 1.0
OD1 H:ASP189 4.9 30.1 1.0
O H:HOH435 4.9 22.4 1.0

Reference:

A.Sandner, A.Heine, G.Klebe. Thrombin in Complex with D-Phe-Pro-2-Chlorofuran Derivative (13L) To Be Published.
Page generated: Sat Jul 10 12:27:11 2021

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