Zinc in PDB 4jyw: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057:
3.4.17.21;

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057, PDB code: 4jyw was solved by C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.71 / 1.73
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.625, 130.326, 158.305, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.1

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057 also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Calcium	(Ca)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Zinc atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057 (pdb code 4jyw). 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 CTT1057, PDB code: 4jyw:
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 CTT1057


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 CTT1057 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:10.7 occ:1.00 OE2 A:GLU425 2.0 11.2 1.0 NE2 A:HIS553 2.0 15.4 1.0 OAM A:T57822 2.0 13.6 0.5 OAM A:T57822 2.0 14.0 0.5 OD2 A:ASP387 2.0 15.6 1.0 OE1 A:GLU425 2.5 14.2 1.0 CD A:GLU425 2.6 13.0 1.0 CE1 A:HIS553 2.9 15.7 1.0 OAH A:T57822 2.9 15.1 0.5 OAH A:T57822 2.9 15.5 0.5 PBV A:T57822 3.0 14.3 0.5 PBV A:T57822 3.0 14.5 0.5 CG A:ASP387 3.0 15.6 1.0 CD2 A:HIS553 3.0 13.5 1.0 OD1 A:ASP387 3.4 14.1 1.0 ZN A:ZN802 3.7 10.9 1.0 CE1 A:TYR552 3.7 12.9 1.0 O A:HOH916 3.9 10.6 1.0 OH A:TYR552 3.9 14.8 1.0 ND1 A:HIS553 4.0 15.2 1.0 CBU A:T57822 4.0 14.5 0.5 CBU A:T57822 4.0 14.5 0.5 NBH A:T57822 4.1 13.1 0.5 NBH A:T57822 4.1 13.3 0.5 CG A:GLU425 4.1 11.4 1.0 CZ A:TYR552 4.1 15.5 1.0 CG A:HIS553 4.1 14.8 1.0 OBI A:T57822 4.2 15.2 0.5 OBI A:T57822 4.2 15.7 0.5 CB A:ASP387 4.3 14.9 1.0 CBM A:T57822 4.4 15.2 0.5 CBM A:T57822 4.4 15.0 0.5 CD1 A:TRP381 4.4 14.7 1.0 OE1 A:GLU424 4.5 12.0 1.0 OAD A:T57822 4.5 15.8 0.5 OAD A:T57822 4.5 15.7 0.5 NE1 A:TRP381 4.6 15.3 1.0 CD1 A:TYR552 4.7 13.1 1.0 NE2 A:HIS377 4.8 12.2 1.0 CE1 A:HIS377 4.9 13.1 1.0 OAL A:T57822 5.0 15.2 0.5 OAL A:T57822 5.0 15.3 0.5

Zinc binding site 2 out of 2 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057


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 CTT1057 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:10.9 occ:1.00 OAH A:T57822 1.9 15.1 0.5 OAH A:T57822 1.9 15.5 0.5 OD1 A:ASP387 1.9 14.1 1.0 NE2 A:HIS377 2.0 12.2 1.0 OD2 A:ASP453 2.0 14.4 1.0 CG A:ASP453 2.7 14.2 1.0 OD1 A:ASP453 2.7 16.6 1.0 CG A:ASP387 2.9 15.6 1.0 CE1 A:HIS377 3.0 13.1 1.0 CD2 A:HIS377 3.0 9.9 1.0 PBV A:T57822 3.3 14.3 0.5 PBV A:T57822 3.3 14.5 0.5 OD2 A:ASP387 3.3 15.6 1.0 OE2 A:GLU425 3.6 11.2 1.0 ZN A:ZN801 3.7 10.7 1.0 OE1 A:GLU424 3.8 12.0 1.0 O A:HOH1469 4.0 20.8 1.0 OBI A:T57822 4.0 15.2 0.5 OBI A:T57822 4.0 15.7 0.5 OAM A:T57822 4.0 13.6 0.5 OAM A:T57822 4.1 14.0 0.5 ND1 A:HIS377 4.1 12.6 1.0 ND2 A:ASN519 4.1 13.8 1.0 CG A:HIS377 4.1 11.4 1.0 CD A:GLU424 4.1 15.1 1.0 CB A:ASP453 4.1 10.4 1.0 CB A:ASP387 4.2 14.9 1.0 OE2 A:GLU424 4.3 12.9 1.0 CB A:PRO388 4.4 13.1 1.0 CD A:GLU425 4.4 13.0 1.0 NBH A:T57822 4.5 13.1 0.5 NBH A:T57822 4.5 13.3 0.5 CA A:ASP387 4.6 14.6 1.0 CA A:PRO388 4.6 13.8 1.0 C A:ASP387 4.6 15.1 1.0 N A:PRO388 4.7 14.1 1.0 OG A:SER454 4.8 16.4 1.0 OE1 A:GLU425 4.9 14.2 1.0 CG A:ASN519 5.0 15.6 1.0 OD1 A:ASN519 5.0 14.4 1.0

T.Ganguly, S.Dannoon, J.G.Geruntho, M.R.Hopkins, S.Murphy, H.Cahaya, J.E.Blecha, S.Jivan, C.Barinka, E.F.Jones, H.F.Vanbrocklin, C.E.Berkman. A High Affinity 18F-Labeled Phosphoramidate Peptidomimetic Inhibitor As A Psma-Targeted Pet Imaging Agent For Prostate Cancer To Be Published.