Chlorine in PDB 1iqe: Human Coagulation Factor Xa in Complex with M55590

All present enzymatic activity of Human Coagulation Factor Xa in Complex with M55590:
3.4.21.6;

The structure of Human Coagulation Factor Xa in Complex with M55590, PDB code: 1iqe was solved by I.Shiromizu, T.Matsusue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.490, 78.650, 55.750, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Human Coagulation Factor Xa in Complex with M55590 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Human Coagulation Factor Xa in Complex with M55590 (pdb code 1iqe). 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 Human Coagulation Factor Xa in Complex with M55590, PDB code: 1iqe:

Chlorine binding site 1 out of 1 in the Human Coagulation Factor Xa in Complex with M55590


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Coagulation Factor Xa in Complex with M55590 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:23.0 occ:1.00 CL21 A:XMB401 0.0 23.0 1.0 C20 A:XMB401 1.7 19.7 1.0 C19 A:XMB401 2.7 16.5 1.0 C18 A:XMB401 2.7 15.2 1.0 CZ A:TYR228 3.4 13.1 1.0 CE2 A:TYR228 3.5 10.5 1.0 N A:ILE227 3.5 12.7 1.0 O A:ILE227 3.6 6.8 1.0 C A:GLY226 3.6 15.6 1.0 CE1 A:TYR228 3.7 13.8 1.0 CA A:GLY226 3.7 17.4 1.0 CD2 A:TYR228 3.8 9.9 1.0 OH A:TYR228 3.8 14.6 1.0 O A:TRP215 3.8 24.3 1.0 C A:ILE227 3.9 10.4 1.0 CD1 A:TYR228 4.0 7.8 1.0 C17 A:XMB401 4.0 15.9 1.0 CG1 A:VAL213 4.0 12.6 1.0 C13 A:XMB401 4.0 13.9 1.0 CB A:ALA190 4.0 13.2 1.0 CG A:TYR228 4.1 6.5 1.0 N A:SER214 4.1 13.2 1.0 O A:GLY226 4.2 15.2 1.0 CA A:ILE227 4.3 13.1 1.0 CA A:VAL213 4.4 12.5 1.0 N A:TYR228 4.5 10.0 1.0 N A:TRP215 4.5 19.8 1.0 C16 A:XMB401 4.5 15.5 1.0 OD1 A:ASP189 4.6 16.2 1.0 CB A:VAL213 4.7 14.6 1.0 C A:TRP215 4.7 24.1 1.0 C A:VAL213 4.7 11.3 1.0 CA A:TYR228 4.9 9.8 1.0 CG2 A:VAL213 4.9 20.0 1.0

T.Matsusue, I.Shiromizu, A.Okamoto, K.Nakayama, H.Nishida, T.Mukaihira, Y.Miyazaki, F.Saitou, H.Morishita, S.Ohnishi, H.Mochizuki. Factor Xa Specific Inhibitor That Induces the Novel Binding Model in Complex with Human Fxa To Be Published.