Zinc in PDB 8bow: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617:
3.4.17.21;

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617, PDB code: 8bow was solved by L.Motlova, C.Barinka, M.Benesova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.25 / 1.58
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	101.281, 130, 159.492, 90, 90, 90
R / Rfree (%)	18.1 / 19.8

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Zinc atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617 (pdb code 8bow). 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 Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617, PDB code: 8bow:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617


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 Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:15.7 occ:1.00 OD2 A:ASP387 2.0 16.8 1.0 O A:HOH1117 2.0 12.6 1.0 NE2 A:HIS553 2.1 14.6 1.0 OE2 A:GLU425 2.1 14.0 1.0 OE1 A:GLU425 2.4 14.5 1.0 OAJ A:QYF807 2.5 16.4 1.0 CD A:GLU425 2.6 14.3 1.0 CG A:ASP387 3.0 16.0 1.0 CE1 A:HIS553 3.0 15.0 1.0 CD2 A:HIS553 3.2 15.8 1.0 ZN A:ZN802 3.3 16.7 1.0 CAI A:QYF807 3.3 15.9 1.0 OD1 A:ASP387 3.3 14.2 1.0 NAK A:QYF807 3.9 14.6 1.0 CAN A:QYF807 4.0 14.7 1.0 CE1 A:TYR552 4.0 15.5 1.0 OE1 A:GLU424 4.1 13.9 1.0 ND1 A:HIS553 4.1 15.2 1.0 O A:HOH1003 4.1 16.2 1.0 CG A:GLU425 4.2 13.8 1.0 N A:QYF807 4.2 15.6 1.0 CG A:HIS553 4.2 15.2 1.0 CB A:ASP387 4.3 15.6 1.0 OH A:TYR552 4.3 15.5 1.0 CA A:QYF807 4.4 15.9 1.0 CAO A:QYF807 4.5 15.4 1.0 CZ A:TYR552 4.6 16.3 1.0 NE2 A:HIS377 4.6 15.0 1.0 CD1 A:TRP381 4.7 15.5 1.0 OAP A:QYF807 4.7 15.2 1.0 CE1 A:HIS377 4.8 15.1 1.0 NE1 A:TRP381 4.8 15.4 1.0 OD2 A:ASP453 4.9 16.4 1.0 CD A:GLU424 5.0 13.9 1.0 CD1 A:TYR552 5.0 16.9 1.0

Zinc binding site 2 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617


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 Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:16.7 occ:1.00 O A:HOH1117 1.8 12.6 1.0 OD1 A:ASP387 2.0 14.2 1.0 OD2 A:ASP453 2.0 16.4 1.0 NE2 A:HIS377 2.0 15.0 1.0 CG A:ASP453 2.8 17.2 1.0 CG A:ASP387 2.9 16.0 1.0 OD1 A:ASP453 2.9 19.0 1.0 CE1 A:HIS377 3.0 15.1 1.0 CD2 A:HIS377 3.1 14.7 1.0 OD2 A:ASP387 3.2 16.8 1.0 ZN A:ZN801 3.3 15.7 1.0 OE1 A:GLU424 3.6 13.9 1.0 OE2 A:GLU425 3.6 14.0 1.0 CD A:GLU424 4.0 13.9 1.0 ND1 A:HIS377 4.1 15.2 1.0 ND2 A:ASN519 4.2 15.0 1.0 OE2 A:GLU424 4.2 13.3 1.0 CG A:HIS377 4.2 14.7 1.0 CB A:ASP387 4.2 15.6 1.0 CB A:ASP453 4.2 16.3 1.0 CB A:PRO388 4.3 14.3 1.0 CD A:GLU425 4.3 14.3 1.0 CAI A:QYF807 4.4 15.9 1.0 OAJ A:QYF807 4.5 16.4 1.0 CA A:PRO388 4.5 15.6 1.0 CA A:ASP387 4.5 15.6 1.0 C A:ASP387 4.6 16.1 1.0 N A:PRO388 4.6 15.3 1.0 OE1 A:GLU425 4.6 14.5 1.0 N A:QYF807 4.6 15.6 1.0 CA A:QYF807 4.7 15.9 1.0 OG A:SER454 4.8 16.8 1.0 NAK A:QYF807 4.9 14.6 1.0 O A:HOH1092 4.9 19.1 1.0 C A:QYF807 4.9 16.4 1.0 CG A:GLU424 4.9 13.7 1.0

L.Motlova, C.Barinka, M.Benesova. X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with An Inhibitor 617 To Be Published.