Zinc 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:

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 3q03). 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: 3q03:
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 A:Zn380 b:0.3 occ:1.00 NE2 B:HIS229 2.6 62.6 1.0 NE2 A:HIS261 2.6 37.7 1.0 CD2 B:HIS229 3.1 56.6 1.0 O B:HOH459 3.2 48.0 1.0 CD2 A:HIS261 3.3 35.5 1.0 O A:HOH500 3.3 53.3 1.0 CE1 B:HIS229 3.8 60.7 1.0 CE1 A:HIS261 3.8 39.8 1.0 O B:HOH426 4.1 51.5 1.0 CG B:HIS229 4.4 54.3 1.0 CG A:HIS261 4.5 38.2 1.0 CG A:GLN257 4.6 57.5 1.0 ND1 B:HIS229 4.7 60.4 1.0 NE2 A:GLN257 4.7 74.8 1.0 CD A:GLN257 4.7 71.7 1.0 ND1 A:HIS261 4.7 41.3 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:Zn380 b:70.9 occ:1.00 N B:VAL1 2.3 66.5 1.0 N B:HIS2 2.3 65.1 1.0 ND1 B:HIS2 2.5 71.8 1.0 OE2 A:GLU212 2.9 71.0 1.0 CG B:HIS2 3.0 71.0 1.0 CE1 B:HIS2 3.1 70.7 1.0 C B:VAL1 3.1 68.1 1.0 CA B:VAL1 3.2 66.2 1.0 CA B:HIS2 3.3 63.7 1.0 CD A:GLU212 3.3 65.9 1.0 OE1 A:GLU212 3.4 67.2 1.0 CB B:HIS2 3.5 66.6 1.0 CG2 B:VAL1 3.6 62.1 1.0 CD2 B:HIS2 3.7 72.3 1.0 NE2 B:HIS2 3.7 72.0 1.0 CD2 A:TYR220 3.8 51.2 1.0 C B:HIS2 3.9 61.5 1.0 CB B:VAL1 4.0 63.1 1.0 N B:HIS3 4.1 72.0 1.0 CG A:TYR220 4.2 50.8 1.0 CD2 B:HIS3 4.3 95.3 1.0 O B:VAL1 4.3 71.5 1.0 CE2 A:TYR220 4.4 55.0 1.0 CB A:TYR220 4.4 44.7 1.0 CG A:GLU212 4.4 55.3 1.0 O B:PRO366 4.6 44.2 1.0 O B:HIS2 4.7 54.2 1.0 CB A:GLU212 4.7 40.4 1.0 CG B:HIS3 4.9 93.3 1.0 NE2 B:HIS3 4.9 97.1 1.0 CG1 B:VAL1 4.9 60.7 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