Zinc 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:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Plasminogen Activator Inhibitor-1 in A Metastable Active Conformation., PDB code: 3q02:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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 B:Zn380 b:86.1 occ:1.00 NE2 B:HIS229 2.4 57.5 1.0 NE2 A:HIS261 2.7 41.2 1.0 O B:HOH418 2.9 63.0 1.0 O A:HOH438 3.1 63.2 1.0 CE1 B:HIS229 3.2 57.6 1.0 CD2 B:HIS229 3.4 55.0 1.0 CD2 A:HIS261 3.5 40.7 1.0 CE1 A:HIS261 3.9 44.1 1.0 CG A:GLN257 4.4 50.5 1.0 ND1 B:HIS229 4.4 54.1 1.0 CG B:HIS229 4.5 48.7 1.0 CD A:GLN257 4.6 62.0 1.0 CG A:HIS261 4.7 42.3 1.0 OE1 A:GLN257 4.7 68.3 1.0 ND1 A:HIS261 4.9 43.3 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn381 b:76.9 occ:1.00 N B:HIS2 2.2 77.4 1.0 N B:VAL1 2.2 42.6 1.0 CA B:VAL1 2.5 60.8 1.0 OE2 A:GLU212 2.6 74.6 1.0 OE1 A:GLU212 2.6 76.1 1.0 C B:VAL1 2.7 71.0 1.0 CD A:GLU212 2.9 74.0 1.0 ND1 B:HIS3 3.0 0.1 1.0 CG B:HIS2 3.3 98.8 1.0 CA B:HIS2 3.3 78.3 1.0 CD2 B:HIS2 3.4 0.2 1.0 ND1 B:HIS2 3.4 0.3 1.0 NE2 B:HIS2 3.6 98.0 1.0 CE1 B:HIS3 3.6 0.8 1.0 N B:HIS3 3.6 78.3 1.0 CE1 B:HIS2 3.6 99.9 1.0 C B:HIS2 3.8 77.8 1.0 O B:VAL1 3.8 66.8 1.0 CB B:HIS2 3.8 90.0 1.0 CB B:VAL1 4.0 65.4 1.0 CG B:HIS3 4.1 99.4 1.0 OG B:SER6 4.2 77.2 1.0 CG A:GLU212 4.4 68.4 1.0 O B:PRO366 4.4 47.0 1.0 CB B:HIS3 4.5 90.0 1.0 CA B:HIS3 4.7 81.1 1.0 CG2 B:VAL1 4.7 73.9 1.0 CG1 B:VAL1 4.7 60.7 1.0 O B:HIS2 4.7 82.1 1.0 NE2 B:HIS3 4.8 0.4 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