Chlorine in PDB 3q02: Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation.

The structure of Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation., PDB code: 3q02 was solved by J.K.Jensen, J.P.Morth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.94 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.438, 67.172, 90.357, 90.00, 98.50, 90.00
R / Rfree (%)	19.3 / 23.8

The structure of Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation. also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation. (pdb code 3q02). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation., PDB code: 3q02:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation.


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 Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl380 b:81.2 occ:1.00 N A:LEU247 3.1 74.6 1.0 CA A:PRO246 3.4 80.8 1.0 NH2 A:ARG356 3.4 73.1 1.0 CB A:SER192 3.5 0.6 1.0 C A:PRO246 3.8 75.5 1.0 CB A:PRO246 3.9 81.5 1.0 CA A:SER192 3.9 0.2 1.0 CG A:PRO357 4.0 86.6 1.0 CB A:LEU247 4.0 68.8 1.0 CA A:LEU247 4.2 71.3 1.0 CB A:PRO357 4.2 79.0 1.0 CE A:MET377 4.3 75.4 1.0 CZ A:ARG356 4.5 70.2 1.0 CD A:PRO357 4.6 88.5 1.0 N A:PRO246 4.6 83.5 1.0 O A:VAL245 4.7 81.2 1.0 O A:SER192 4.8 0.5 1.0 OG A:SER192 4.8 0.0 1.0 C A:SER192 4.9 0.8 1.0 N A:SER192 4.9 0.4 1.0 O A:PRO246 5.0 73.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl382 b:81.3 occ:1.00 CG B:PRO357 3.3 61.5 1.0 NH2 B:ARG356 3.4 72.3 1.0 N B:LEU247 3.4 80.7 1.0 CB B:PRO357 3.7 59.1 1.0 CA B:PRO246 3.7 82.6 1.0 CD B:PRO357 3.9 65.0 1.0 C B:PRO246 4.1 85.0 1.0 CB B:SER192 4.1 0.0 1.0 CB B:LEU247 4.2 66.8 1.0 CZ B:ARG356 4.3 74.6 1.0 CA B:SER192 4.3 98.4 1.0 CB B:PRO246 4.4 85.4 1.0 CA B:LEU247 4.4 74.9 1.0 CE B:MET377 4.5 51.0 1.0 O B:VAL245 4.7 88.5 1.0 NE B:ARG356 4.9 74.9 1.0 N B:PRO246 4.9 85.9 1.0 N B:PRO357 4.9 64.8 1.0 CA B:PRO357 5.0 61.7 1.0

J.K.Jensen, L.C.Thompson, J.C.Bucci, P.Nissen, P.G.Gettins, C.B.Peterson, P.A.Andreasen, J.P.Morth. Crystal Structure of Plasminogen Activator Inhibitor-1 in An Active Conformation with Normal Thermodynamic Stability. J.Biol.Chem. V. 286 29709 2011.
ISSN: ISSN 0021-9258
PubMed: 21697084
DOI: 10.1074/JBC.M111.236554