Chlorine in PDB 3sor: Factor Xia in Complex with A Clorophenyl-Tetrazole Inhibitor

All present enzymatic activity of Factor Xia in Complex with A Clorophenyl-Tetrazole Inhibitor:
3.4.21.27;

The structure of Factor Xia in Complex with A Clorophenyl-Tetrazole Inhibitor, PDB code: 3sor was solved by B.Kazemier, A.Oubrie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.86 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.988, 60.069, 67.512, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 29.6

The binding sites of Chlorine atom in the Factor Xia in Complex with A Clorophenyl-Tetrazole Inhibitor (pdb code 3sor). 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 Xia in Complex with A Clorophenyl-Tetrazole Inhibitor, PDB code: 3sor:

Chlorine binding site 1 out of 1 in the Factor Xia in Complex with A Clorophenyl-Tetrazole Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor Xia in Complex with A Clorophenyl-Tetrazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl626 b:37.1 occ:1.00 CL12 A:O58626 0.0 37.1 1.0 C3 A:O58626 1.7 39.1 1.0 C4 A:O58626 2.7 38.6 1.0 C2 A:O58626 2.7 38.7 1.0 O A:TRP595 3.3 28.4 1.0 O A:VAL607 3.5 25.5 1.0 CA A:GLY606 3.7 29.9 1.0 N A:VAL607 3.7 26.9 1.0 CG2 A:THR593 3.8 24.5 1.0 CZ A:TYR608 3.8 24.4 1.0 CE1 A:TYR608 3.9 27.0 1.0 CB A:ALA570 3.9 38.1 1.0 OH A:TYR608 4.0 27.8 1.0 C5 A:O58626 4.0 38.1 1.0 C1 A:O58626 4.0 38.8 1.0 C A:TRP595 4.0 29.2 1.0 C A:GLY606 4.1 28.4 1.0 N A:TRP595 4.1 27.7 1.0 N A:SER594 4.2 26.0 1.0 CE2 A:TYR608 4.2 24.4 1.0 C A:VAL607 4.3 26.2 1.0 CD1 A:TYR608 4.4 25.4 1.0 OD1 A:ASP569 4.4 44.2 1.0 C6 A:O58626 4.6 39.1 1.0 CA A:TRP595 4.6 28.8 1.0 CA A:THR593 4.6 25.3 1.0 CA A:VAL607 4.7 26.7 1.0 CD2 A:TYR608 4.7 25.2 1.0 CB A:THR593 4.7 24.8 1.0 C A:SER594 4.8 26.9 1.0 CG A:TYR608 4.8 25.6 1.0 C A:THR593 4.8 25.6 1.0 O A:HOH224 4.8 45.0 1.0 N A:GLY596 4.8 30.6 1.0

X.Fradera, B.Kazemier, E.Carswell, A.Cooke, A.Oubrie, W.Hamilton, M.Dempster, S.Krapp, S.Nagel, A.Jestel. High-Resolution Crystal Structures of Factor Xia Coagulation Factor in Complex with Nonbasic High-Affinity Synthetic Inhibitors. Acta Crystallogr.,Sect.F V. 68 404 2012.
ISSN: ESSN 1744-3091
PubMed: 22505407
DOI: 10.1107/S1744309112009037