Zinc in PDB 2xeg: Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4

All present enzymatic activity of Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4:
3.4.17.21;

The structure of Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4, PDB code: 2xeg was solved by A.X.Zhang, R.P.Murelli, C.Barinka, J.Michel, A.Cocleaza, W.L.Jorgensen, J.Lubkowski, D.A.Spiegel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.59
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	101.707, 130.039, 159.026, 90.00, 90.00, 90.00
R / Rfree (%)	16.858 / 19.063

The structure of Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4 also contains other interesting chemical elements:

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

The binding sites of Zinc atom in the Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4 (pdb code 2xeg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4, PDB code: 2xeg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1751 b:5.8 occ:1.00 NE2 A:HIS553 2.1 13.3 1.0 OD2 A:ASP387 2.1 19.4 1.0 OE2 A:GLU425 2.1 17.6 1.0 OE1 A:GLU425 2.4 14.4 1.0 OAD A:CI91768 2.6 14.5 1.0 CD A:GLU425 2.6 16.0 1.0 CE1 A:HIS553 3.0 17.1 1.0 CG A:ASP387 3.0 18.0 1.0 CD2 A:HIS553 3.1 16.3 1.0 OD1 A:ASP387 3.3 15.3 1.0 ZN A:ZN1752 3.3 5.7 1.0 CBQ A:CI91768 3.4 17.4 1.0 NBI A:CI91768 3.9 15.8 1.0 CBW A:CI91768 3.9 17.1 1.0 CE1 A:TYR552 4.0 14.8 1.0 OE1 A:GLU424 4.1 15.5 1.0 ND1 A:HIS553 4.1 15.1 1.0 CG A:GLU425 4.2 14.8 1.0 O A:HOH2302 4.2 16.1 1.0 CG A:HIS553 4.2 15.5 1.0 N A:CI91768 4.3 16.0 1.0 CB A:ASP387 4.3 15.5 1.0 OH A:TYR552 4.4 16.3 1.0 CBP A:CI91768 4.5 17.9 1.0 NE2 A:HIS377 4.6 14.1 1.0 CD1 A:TRP381 4.6 16.6 1.0 CA A:CI91768 4.6 17.8 1.0 CZ A:TYR552 4.6 16.7 1.0 OAI A:CI91768 4.7 17.6 1.0 NE1 A:TRP381 4.7 15.8 1.0 CE1 A:HIS377 4.8 13.7 1.0 OD2 A:ASP453 4.9 16.1 1.0 CD1 A:TYR552 5.0 17.1 1.0

Zinc binding site 2 out of 2 in the Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1752 b:5.7 occ:1.00 OD2 A:ASP453 2.0 16.1 1.0 OD1 A:ASP387 2.0 15.3 1.0 NE2 A:HIS377 2.0 14.1 1.0 CG A:ASP453 2.7 17.2 1.0 OD1 A:ASP453 2.8 19.1 1.0 CG A:ASP387 2.9 18.0 1.0 CE1 A:HIS377 3.0 13.7 1.0 CD2 A:HIS377 3.1 14.6 1.0 OD2 A:ASP387 3.3 19.4 1.0 ZN A:ZN1751 3.3 5.8 1.0 OE2 A:GLU425 3.6 17.6 1.0 OE1 A:GLU424 3.6 15.5 1.0 CD A:GLU424 4.1 15.0 1.0 ND1 A:HIS377 4.1 14.0 1.0 CB A:ASP453 4.2 15.2 1.0 CG A:HIS377 4.2 14.5 1.0 CB A:ASP387 4.2 15.5 1.0 OE2 A:GLU424 4.2 14.8 1.0 ND2 A:ASN519 4.3 14.6 1.0 CB A:PRO388 4.3 14.9 1.0 CD A:GLU425 4.3 16.0 1.0 CBQ A:CI91768 4.5 17.4 1.0 OAD A:CI91768 4.5 14.5 1.0 CA A:ASP387 4.5 15.7 1.0 CA A:PRO388 4.5 15.0 1.0 C A:ASP387 4.6 16.3 1.0 N A:PRO388 4.6 15.1 1.0 OE1 A:GLU425 4.7 14.4 1.0 N A:CI91768 4.7 16.0 1.0 O A:HOH2611 4.7 27.9 1.0 OG A:SER454 4.8 16.8 1.0 NBI A:CI91768 4.9 15.8 1.0 CA A:CI91768 4.9 17.8 1.0 CG A:GLU424 5.0 13.8 1.0

A.X.Zhang, R.P.Murelli, C.Barinka, J.Michel, A.Cocleaza, W.L.Jorgensen, J.Lubkowski, D.A.Spiegel. A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed By Antibody-Recruiting Small Molecules. J.Am.Chem.Soc. V. 132 12711 2010.
ISSN: ISSN 0002-7863
PubMed: 20726553
DOI: 10.1021/JA104591M