Chlorine in PDB 3q03: 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: 3q03 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)	19.76 / 2.64
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.680, 67.160, 91.160, 90.00, 100.45, 90.00
R / Rfree (%)	17.2 / 22.5

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 3q03). 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: 3q03:
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:Cl381 b:46.9 occ:1.00 N A:LEU247 3.1 38.6 1.0 NH2 A:ARG356 3.5 44.5 1.0 O A:HOH456 3.5 44.2 1.0 CA A:PRO246 3.6 35.2 1.0 CB A:SER192 3.6 45.0 1.0 CG A:PRO357 3.6 28.8 1.0 CB A:PRO357 3.8 31.5 1.0 C A:PRO246 3.8 38.0 1.0 CB A:LEU247 3.9 36.2 1.0 CA A:LEU247 4.1 37.0 1.0 CE A:MET377 4.2 30.4 1.0 CA A:SER192 4.2 41.1 1.0 CB A:PRO246 4.3 35.6 1.0 CD A:PRO357 4.3 30.6 1.0 CZ A:ARG356 4.5 45.7 1.0 O A:VAL245 4.5 37.2 1.0 N A:PRO246 4.7 40.1 1.0 OG A:SER192 4.7 52.1 1.0 N A:SER192 4.9 44.6 1.0 O A:PRO246 5.0 42.7 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:Cl381 b:71.2 occ:1.00 NH2 B:ARG356 3.3 59.6 1.0 N B:LEU247 3.3 59.2 1.0 CG B:PRO357 3.7 37.5 1.0 CB B:PRO357 3.8 36.9 1.0 CB B:LEU247 3.9 44.0 1.0 CA B:PRO246 3.9 64.4 1.0 O B:VAL245 4.0 67.7 1.0 CB B:SER192 4.0 73.3 1.0 C B:PRO246 4.1 62.2 1.0 CA B:LEU247 4.2 51.5 1.0 CZ B:ARG356 4.3 61.2 1.0 CD B:PRO357 4.4 41.8 1.0 CE B:MET377 4.4 0.1 1.0 CA B:SER192 4.5 76.8 1.0 C B:VAL245 4.7 69.7 1.0 N B:PRO246 4.7 70.7 1.0 NE B:ARG356 4.9 60.4 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