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Chlorine in PDB 1nfw: Crystal Structure of Human Coagulation Factor Xa Complexed with RPR209685

Enzymatic activity of Crystal Structure of Human Coagulation Factor Xa Complexed with RPR209685

All present enzymatic activity of Crystal Structure of Human Coagulation Factor Xa Complexed with RPR209685:
3.4.21.6;

Protein crystallography data

The structure of Crystal Structure of Human Coagulation Factor Xa Complexed with RPR209685, PDB code: 1nfw was solved by S.Maignan, J.P.Guilloteau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.950, 71.730, 78.960, 90.00, 90.00, 90.00
R / Rfree (%) 20 / n/a

Other elements in 1nfw:

The structure of Crystal Structure of Human Coagulation Factor Xa Complexed with RPR209685 also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Coagulation Factor Xa Complexed with RPR209685 (pdb code 1nfw). 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 Human Coagulation Factor Xa Complexed with RPR209685, PDB code: 1nfw:

Chlorine binding site 1 out of 1 in 1nfw

Go back to Chlorine Binding Sites List in 1nfw
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Coagulation Factor Xa Complexed with RPR209685


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 Human Coagulation Factor Xa Complexed with RPR209685 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:23.7
occ:0.90
 CL36 A:RRR301 0.0 23.7 0.9
C33 A:RRR301 1.7 25.4 0.9
C34 A:RRR301 2.8 24.3 0.9
S32 A:RRR301 3.1 29.5 0.9
CZ A:TYR228 3.4 19.9 1.0
OH A:TYR228 3.5 19.3 1.0
CB A:ALA190 3.6 21.4 1.0
O A:ILE227 3.7 18.1 1.0
CE1 A:TYR228 3.7 22.4 1.0
CG1 A:VAL213 3.7 23.2 1.0
N A:ILE227 3.8 20.3 1.0
O A:TRP215 3.8 25.1 1.0
CA A:GLY226 3.8 22.9 1.0
CE2 A:TYR228 3.8 17.3 1.0
C A:GLY226 4.0 20.6 1.0
C35 A:RRR301 4.0 24.0 0.9
C31 A:RRR301 4.2 26.1 0.9
C A:ILE227 4.2 21.7 1.0
CD1 A:TYR228 4.3 21.3 1.0
O A:HOH310 4.3 23.3 1.0
CD2 A:TYR228 4.3 16.9 1.0
N A:SER214 4.4 25.2 1.0
OD1 A:ASP189 4.5 34.9 1.0
CA A:VAL213 4.5 24.0 1.0
N A:TRP215 4.5 24.1 1.0
C A:TRP215 4.5 27.6 1.0
CB A:VAL213 4.6 22.5 1.0
CG A:TYR228 4.6 21.7 1.0
CA A:ILE227 4.6 19.4 1.0
CG2 A:VAL213 4.8 16.6 1.0
CA A:ALA190 4.8 24.5 1.0
O A:GLY226 4.9 19.8 1.0
C A:VAL213 4.9 26.0 1.0
N A:ALA190 4.9 28.1 1.0
CA A:TRP215 5.0 26.4 1.0

Reference:

S.Maignan, J.P.Guilloteau, Y.M.Choi-Sledeski, M.R.Becker, W.R.Ewing, H.W.Pauls, A.P.Spada, V.Mikol. Molecular Structures of Human Factor Xa Complexed with Ketopiperazine Inhibitors: Preference For A Neutral Group in the S1 Pocket. J.Med.Chem. V. 46 685 2003.
ISSN: ISSN 0022-2623
PubMed: 12593649
DOI: 10.1021/JM0203837
Page generated: Sat Jul 20 00:29:37 2024

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