Chlorine in PDB 1zsl: Factor XI Complexed with A Pyrimidinone Inhibitor

All present enzymatic activity of Factor XI Complexed with A Pyrimidinone Inhibitor:
3.4.21.27;

The structure of Factor XI Complexed with A Pyrimidinone Inhibitor, PDB code: 1zsl was solved by P.Nagafuji, L.Jin, M.Rynkiewicz, J.Quinn, F.Bibbins, H.Meyers, R.Babine, J.Strickler, S.Abdel-Meguid, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.85 / 2.05
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	122.385, 122.385, 122.385, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Factor XI Complexed with A Pyrimidinone Inhibitor (pdb code 1zsl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Factor XI Complexed with A Pyrimidinone Inhibitor, PDB code: 1zsl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Factor XI Complexed with A Pyrimidinone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor XI Complexed with A Pyrimidinone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl900 b:32.5 occ:1.00 CL1 A:624900 0.0 32.5 1.0 C36 A:624900 1.7 32.7 1.0 C35 A:624900 2.7 35.8 1.0 C37 A:624900 2.8 33.9 1.0 CB A:TYR59A 3.2 34.4 1.0 CL2 A:624900 3.4 23.6 1.0 O A:HIS57 3.4 25.7 1.0 CG A:TYR59A 3.8 34.7 1.0 C34 A:624900 4.0 34.4 1.0 CD2 A:TYR59A 4.0 35.7 1.0 C38 A:624900 4.1 34.6 1.0 C46 A:624900 4.2 42.5 1.0 CA A:TYR59A 4.5 32.3 1.0 O A:HOH1000 4.5 33.1 1.0 C A:HIS57 4.6 26.8 1.0 N A:TYR59A 4.6 31.7 1.0 CD2 A:HIS57 4.6 26.0 1.0 C33 A:624900 4.6 36.9 1.0 CD1 A:TYR59A 4.9 34.2 1.0 O A:TYR59A 4.9 34.0 1.0 C47 A:624900 4.9 43.0 1.0

Chlorine binding site 2 out of 2 in the Factor XI Complexed with A Pyrimidinone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Factor XI Complexed with A Pyrimidinone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl900 b:23.6 occ:1.00 CL2 A:624900 0.0 23.6 1.0 C37 A:624900 1.7 33.9 1.0 C38 A:624900 2.7 34.6 1.0 C36 A:624900 2.8 32.7 1.0 CL1 A:624900 3.4 32.5 1.0 OH A:TYR94 3.6 33.5 1.0 CB A:HIS57 3.6 25.9 1.0 O A:HIS57 3.6 25.7 1.0 CB A:TYR59A 3.8 34.4 1.0 CA A:HIS57 4.0 25.9 1.0 C33 A:624900 4.1 36.9 1.0 C35 A:624900 4.1 35.8 1.0 CG A:TYR59A 4.2 34.7 1.0 C A:HIS57 4.3 26.8 1.0 CD1 A:TYR59A 4.3 34.2 1.0 CG A:HIS57 4.4 23.5 1.0 CD2 A:HIS57 4.5 26.0 1.0 C34 A:624900 4.6 34.4 1.0 CZ A:TYR94 4.9 34.3 1.0 CA A:TYR59A 5.0 32.3 1.0

P.Nagafuji, L.Jin, M.Rynkiewicz, J.Quinn, F.Bibbins, H.Meyers, R.Babine, J.Strickler, S.Abdel-Meguid. Pyrimidinone Inhibitors of A Thrombolytic Protease To Be Published.