Chlorine in PDB 4y7b: Factor Xa Complex with GTC000441

All present enzymatic activity of Factor Xa Complex with GTC000441:
3.4.21.6;

The structure of Factor Xa Complex with GTC000441, PDB code: 4y7b was solved by M.A.Convery, R.J.Young, S.Senger, J.N.Hamblin, C.Chan, J.R.Toomey, N.S.Watson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.742, 72.635, 79.862, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.2

The structure of Factor Xa Complex with GTC000441 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Factor Xa Complex with GTC000441 (pdb code 4y7b). 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 Complex with GTC000441, PDB code: 4y7b:

Chlorine binding site 1 out of 1 in the Factor Xa Complex with GTC000441


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor Xa Complex with GTC000441 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:17.9 occ:1.00 CL A:44I302 0.0 17.9 1.0 C64 A:44I302 1.8 19.9 1.0 C62 A:44I302 2.7 19.3 1.0 C66 A:44I302 2.7 19.2 1.0 CZ A:TYR228 3.5 15.8 1.0 CA A:GLY226 3.6 17.2 1.0 N A:ILE227 3.6 16.1 1.0 CE1 A:TYR228 3.6 15.9 1.0 O A:ILE227 3.7 14.6 1.0 OH A:TYR228 3.7 16.5 1.0 C A:GLY226 3.8 16.9 1.0 O A:TRP215 3.8 16.1 1.0 CG1 A:VAL213 3.9 15.5 1.0 CB A:ALA190 3.9 18.6 1.0 CE2 A:TYR228 4.0 14.1 1.0 C68 A:44I302 4.0 20.5 1.0 C61 A:44I302 4.0 20.7 1.0 CD1 A:TYR228 4.2 15.6 1.0 C A:ILE227 4.2 15.1 1.0 O A:HOH500 4.4 20.1 1.0 N A:SER214 4.4 15.9 1.0 CD2 A:TYR228 4.5 14.6 1.0 OD1 A:ASP189 4.5 21.1 1.0 C70 A:44I302 4.5 21.4 1.0 CG A:TYR228 4.6 14.7 1.0 CA A:ILE227 4.6 15.4 1.0 C A:TRP215 4.6 18.1 1.0 N A:TRP215 4.6 16.0 1.0 CA A:VAL213 4.7 14.0 1.0 O A:GLY226 4.7 17.1 1.0 CB A:VAL213 4.8 14.3 1.0 N A:GLY226 5.0 18.1 1.0

M.A.Convery, R.J.Young, S.Senger, J.N.Hamblin, C.Chan, J.R.Toomey, N.S.Watson. Factor Xa Complex with GTC000441 To Be Published.