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Chlorine in PDB 2j34: Crystal Structure of A Human Factor Xa Inhibitor Complex

Enzymatic activity of Crystal Structure of A Human Factor Xa Inhibitor Complex

All present enzymatic activity of Crystal Structure of A Human Factor Xa Inhibitor Complex:
3.4.21.6;

Protein crystallography data

The structure of Crystal Structure of A Human Factor Xa Inhibitor Complex, PDB code: 2j34 was solved by S.Senger, M.A.Convery, C.Chan, N.S.Watson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.01
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.867, 73.147, 80.125, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 22

Other elements in 2j34:

The structure of Crystal Structure of A Human Factor Xa Inhibitor Complex also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Human Factor Xa Inhibitor Complex (pdb code 2j34). 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 Crystal Structure of A Human Factor Xa Inhibitor Complex, PDB code: 2j34:

Chlorine binding site 1 out of 1 in 2j34

Go back to Chlorine Binding Sites List in 2j34
Chlorine binding site 1 out of 1 in the Crystal Structure of A Human Factor Xa Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Human Factor Xa Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1245

b:27.1
occ:1.00
CL A:GS61245 0.0 27.1 1.0
C1 A:GS61245 1.7 28.4 1.0
C2 A:GS61245 2.7 25.2 1.0
C10 A:GS61245 2.7 27.3 1.0
O A:ILE227 3.6 18.9 1.0
O A:TRP215 3.7 19.2 1.0
N A:ILE227 3.7 21.0 1.0
CZ A:TYR228 3.7 22.7 1.0
CA A:GLY226 3.7 24.7 1.0
CG1 A:VAL213 3.8 19.7 1.0
CB A:ALA190 3.9 23.8 1.0
OH A:TYR228 3.9 20.1 1.0
CE1 A:TYR228 3.9 21.4 1.0
C A:GLY226 3.9 23.9 1.0
C9 A:GS61245 4.1 27.0 1.0
C3 A:GS61245 4.1 27.7 1.0
CE2 A:TYR228 4.1 16.6 1.0
C A:ILE227 4.3 21.2 1.0
N A:SER214 4.3 19.0 1.0
C A:TRP215 4.4 22.9 1.0
N A:TRP215 4.4 20.2 1.0
CD1 A:TYR228 4.5 20.8 1.0
C4 A:GS61245 4.6 26.6 1.0
CD2 A:TYR228 4.6 17.5 1.0
O A:HOH2145 4.6 25.5 1.0
CA A:ILE227 4.6 20.3 1.0
CA A:VAL213 4.7 18.6 1.0
CG A:TYR228 4.8 19.0 1.0
OD1 A:ASP189 4.8 29.0 1.0
CB A:VAL213 4.8 17.8 1.0
O A:GLY226 4.9 22.8 1.0
CA A:TRP215 4.9 23.2 1.0
C A:VAL213 4.9 20.1 1.0

Reference:

S.Senger, M.A.Convery, C.Chan, N.S.Watson. Arylsulfonamides: A Study of the Relationship Between Activity and Conformational Preferences For A Series of Factor Xa Inhibitors. Bioorg.Med.Chem.Lett. V. 16 5731 2006.
ISSN: ISSN 0960-894X
PubMed: 16982192
DOI: 10.1016/J.BMCL.2006.08.092
Page generated: Sat Jul 20 08:38:20 2024

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