Zinc in PDB 7bfz: X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490

All present enzymatic activity of X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490:
3.4.17.21;

The structure of X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490, PDB code: 7bfz was solved by A.Rakhimbekova, L.Motlova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.96 / 1.73
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	101.54, 130.103, 158.91, 90, 90, 90
R / Rfree (%)	16.3 / 18.3

The structure of X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490 also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Zinc atom in the X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490 (pdb code 7bfz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490, PDB code: 7bfz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:25.7 occ:1.00 O A:HOH1202 2.0 24.0 1.0 OD2 A:ASP387 2.0 26.6 1.0 NE2 A:HIS553 2.0 24.6 1.0 OE2 A:GLU425 2.1 24.1 1.0 OE1 A:GLU425 2.4 24.9 1.0 O6 A:TKZ813 2.5 25.5 1.0 CD A:GLU425 2.6 25.1 1.0 CE1 A:HIS553 2.9 24.3 1.0 CG A:ASP387 3.0 26.6 1.0 CD2 A:HIS553 3.1 25.0 1.0 ZN A:ZN802 3.3 25.2 1.0 C2 A:TKZ813 3.3 27.3 1.0 OD1 A:ASP387 3.4 23.9 1.0 N2 A:TKZ813 3.8 24.9 1.0 CE1 A:TYR552 4.0 24.7 1.0 C5 A:TKZ813 4.0 23.9 1.0 ND1 A:HIS553 4.1 23.5 1.0 OE1 A:GLU424 4.1 23.8 1.0 CG A:GLU425 4.2 23.6 1.0 O A:HOH951 4.2 25.1 1.0 CG A:HIS553 4.2 24.3 1.0 N1 A:TKZ813 4.3 24.6 1.0 CB A:ASP387 4.3 25.3 1.0 OH A:TYR552 4.3 24.8 1.0 NE2 A:HIS377 4.5 23.6 1.0 CZ A:TYR552 4.5 26.2 1.0 C6 A:TKZ813 4.6 24.8 1.0 CD1 A:TRP381 4.6 25.6 1.0 C3 A:TKZ813 4.7 26.5 1.0 CE1 A:HIS377 4.7 24.3 1.0 NE1 A:TRP381 4.8 24.8 1.0 O5 A:TKZ813 4.8 24.5 1.0 OD2 A:ASP453 4.9 25.2 1.0 CD1 A:TYR552 4.9 26.5 1.0 CD A:GLU424 5.0 23.9 1.0

Zinc binding site 2 out of 2 in the X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:25.2 occ:1.00 O A:HOH1202 1.8 24.0 1.0 OD2 A:ASP453 2.0 25.2 1.0 NE2 A:HIS377 2.0 23.6 1.0 OD1 A:ASP387 2.0 23.9 1.0 CG A:ASP453 2.7 26.3 1.0 OD1 A:ASP453 2.8 27.2 1.0 CG A:ASP387 2.9 26.6 1.0 CE1 A:HIS377 3.0 24.3 1.0 CD2 A:HIS377 3.0 22.9 1.0 OD2 A:ASP387 3.2 26.6 1.0 ZN A:ZN801 3.3 25.7 1.0 OE2 A:GLU425 3.6 24.1 1.0 OE1 A:GLU424 3.7 23.8 1.0 CD A:GLU424 4.0 23.9 1.0 ND1 A:HIS377 4.1 24.7 1.0 OE2 A:GLU424 4.1 23.5 1.0 CG A:HIS377 4.2 23.6 1.0 CB A:ASP453 4.2 23.6 1.0 CB A:ASP387 4.2 25.3 1.0 ND2 A:ASN519 4.2 22.4 1.0 CB A:PRO388 4.3 24.3 1.0 CD A:GLU425 4.3 25.1 1.0 C2 A:TKZ813 4.4 27.3 1.0 O6 A:TKZ813 4.4 25.5 1.0 CA A:PRO388 4.6 25.2 1.0 CA A:ASP387 4.6 26.8 1.0 C A:ASP387 4.6 25.4 1.0 OE1 A:GLU425 4.6 24.9 1.0 N1 A:TKZ813 4.6 24.6 1.0 N A:PRO388 4.7 25.6 1.0 OG A:SER454 4.7 20.6 0.7 O A:HOH1068 4.8 31.8 1.0 N2 A:TKZ813 4.8 24.9 1.0 CG A:GLU424 4.9 22.4 1.0

A.Rakhimbekova, L.Motlova, C.Barinka. X-Ray Structure of Human Prostate-Specific Membrane Antigen(Psma) in Complex with A Inhibitor Glu-490 To Be Published.