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Chlorine in PDB 2jkh: Factor Xa - Cation Inhibitor Complex

Enzymatic activity of Factor Xa - Cation Inhibitor Complex

All present enzymatic activity of Factor Xa - Cation Inhibitor Complex:
3.4.21.6;

Protein crystallography data

The structure of Factor Xa - Cation Inhibitor Complex, PDB code: 2jkh was solved by L.M.Salonen, C.Bucher, D.W.Banner, J.Benz, W.Haap, J.L.Mary, W.B.Schweizer, P.Seiler, O.Kuster, F.Diederich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.45 / 1.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.910, 74.120, 77.180, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 22.1

Other elements in 2jkh:

The structure of Factor Xa - Cation 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 Factor Xa - Cation Inhibitor Complex (pdb code 2jkh). 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 Factor Xa - Cation Inhibitor Complex, PDB code: 2jkh:

Chlorine binding site 1 out of 1 in 2jkh

Go back to Chlorine Binding Sites List in 2jkh
Chlorine binding site 1 out of 1 in the Factor Xa - Cation Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor Xa - Cation Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1244

b:19.3
occ:1.00
CL1 A:BI71244 0.0 19.3 1.0
C25 A:BI71244 1.8 18.6 1.0
C24 A:BI71244 2.8 19.2 1.0
S1 A:BI71244 3.0 18.7 1.0
CA A:GLY226 3.5 14.2 1.0
N A:ILE227 3.6 13.3 1.0
CZ A:TYR228 3.6 11.1 1.0
OH A:TYR228 3.7 12.2 1.0
CE2 A:TYR228 3.7 11.4 1.0
CG1 A:VAL213 3.7 14.3 1.0
CB A:ALA190 3.7 13.5 1.0
O A:ILE227 3.8 12.4 1.0
O A:TRP215 3.8 14.2 1.0
C A:GLY226 3.8 12.8 1.0
C22 A:BI71244 4.0 22.1 1.0
C20 A:BI71244 4.1 21.4 1.0
OD1 A:ASP189 4.1 14.9 1.0
CE1 A:TYR228 4.2 12.2 1.0
O A:HOH2293 4.3 16.2 1.0
CD2 A:TYR228 4.4 12.1 1.0
C A:ILE227 4.4 12.3 1.0
C A:TRP215 4.5 15.3 1.0
CA A:ILE227 4.6 13.1 1.0
N A:SER214 4.7 12.2 1.0
CA A:ALA190 4.7 13.1 1.0
CD1 A:TYR228 4.8 12.0 1.0
N A:TRP215 4.8 14.1 1.0
N A:ALA190 4.8 13.6 1.0
O A:GLY226 4.8 12.5 1.0
CB A:VAL213 4.8 11.7 1.0
N A:GLY226 4.8 13.6 1.0
CA A:VAL213 4.9 12.6 1.0
C A:ALA190 4.9 14.1 1.0
CG A:TYR228 4.9 11.0 1.0

Reference:

L.M.Salonen, C.Bucher, D.W.Banner, W.Haap, J.L.Mary, J.Benz, O.Kuster, P.Seiler, W.B.Schweizer, F.Diederich. Cation-Pi Interactions at the Active Site of Factor Xa: Dramatic Enhancement Upon Stepwise N-Alkylation of Ammonium Ions. Angew.Chem.Int.Ed.Engl. V. 48 811 2009.
ISSN: ISSN 1433-7851
PubMed: 19101972
DOI: 10.1002/ANIE.200804695
Page generated: Sat Dec 12 09:11:03 2020

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