Zinc in PDB 2xei: Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P2

All present enzymatic activity of Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P2:
3.4.17.21;

The structure of Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P2, PDB code: 2xei 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 / 1.69
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	101.499, 130.038, 158.637, 90.00, 90.00, 90.00
R / Rfree (%)	15.947 / 18.516

The structure of Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P2 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-P2 (pdb code 2xei). 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-P2, PDB code: 2xei:
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-P2


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-P2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1751 b:7.0 occ:1.00 NE2 A:HIS553 2.1 16.2 1.0 OD2 A:ASP387 2.1 23.4 1.0 OE2 A:GLU425 2.1 18.8 1.0 OE1 A:GLU425 2.4 17.7 1.0 OAD A:ARK1770 2.6 17.6 0.7 CD A:GLU425 2.6 17.5 1.0 OAD A:ARK1770 2.8 15.9 0.3 CE1 A:HIS553 2.9 16.7 1.0 CG A:ASP387 3.0 21.0 1.0 CD2 A:HIS553 3.2 15.4 1.0 ZN A:ZN1752 3.3 6.8 1.0 CBK A:ARK1770 3.3 21.3 0.7 OD1 A:ASP387 3.3 17.9 1.0 CBK A:ARK1770 3.7 17.0 0.3 NBE A:ARK1770 3.8 15.7 0.7 CBQ A:ARK1770 3.9 22.3 0.7 ND1 A:HIS553 4.1 15.9 1.0 OE1 A:GLU424 4.1 17.1 1.0 CE1 A:TYR552 4.1 17.5 1.0 O A:HOH2254 4.1 20.1 1.0 CBQ A:ARK1770 4.1 17.1 0.3 CG A:GLU425 4.1 16.6 1.0 CG A:HIS553 4.2 16.6 1.0 N A:ARK1770 4.2 20.1 0.7 NBE A:ARK1770 4.3 16.5 0.3 CB A:ASP387 4.3 17.4 1.0 OH A:TYR552 4.4 18.9 1.0 CBJ A:ARK1770 4.5 22.2 0.7 NE2 A:HIS377 4.5 15.7 1.0 N A:ARK1770 4.6 15.8 0.3 CA A:ARK1770 4.6 23.0 0.7 CD1 A:TRP381 4.7 19.0 1.0 CZ A:TYR552 4.7 17.1 1.0 CA A:ARK1770 4.7 17.0 0.3 CE1 A:HIS377 4.7 16.4 1.0 OAI A:ARK1770 4.7 25.2 0.7 CBJ A:ARK1770 4.8 17.8 0.3 NE1 A:TRP381 4.8 19.4 1.0 OD2 A:ASP453 4.9 20.4 1.0 CD A:GLU424 5.0 19.5 1.0

Zinc binding site 2 out of 2 in the Human Glutamate Carboxypeptidase II in Complex with Antibody-Recruiting Molecule Arm-P2


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-P2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1752 b:6.8 occ:1.00 OD2 A:ASP453 2.0 20.4 1.0 OD1 A:ASP387 2.0 17.9 1.0 NE2 A:HIS377 2.0 15.7 1.0 CG A:ASP453 2.7 19.8 1.0 OD1 A:ASP453 2.7 23.9 1.0 CG A:ASP387 2.9 21.0 1.0 CD2 A:HIS377 3.0 15.8 1.0 CE1 A:HIS377 3.0 16.4 1.0 OD2 A:ASP387 3.2 23.4 1.0 ZN A:ZN1751 3.3 7.0 1.0 OE2 A:GLU425 3.6 18.8 1.0 OE1 A:GLU424 3.7 17.1 1.0 CD A:GLU424 4.0 19.5 1.0 OE2 A:GLU424 4.1 20.7 1.0 ND1 A:HIS377 4.1 16.4 1.0 CG A:HIS377 4.1 15.4 1.0 CB A:ASP453 4.2 18.1 1.0 CB A:ASP387 4.2 17.4 1.0 ND2 A:ASN519 4.2 16.4 1.0 CD A:GLU425 4.3 17.5 1.0 CB A:PRO388 4.3 16.4 1.0 CBK A:ARK1770 4.5 21.3 0.7 CA A:PRO388 4.5 17.3 1.0 CA A:ASP387 4.5 17.0 1.0 OAD A:ARK1770 4.6 17.6 0.7 N A:ARK1770 4.6 20.1 0.7 C A:ASP387 4.6 17.8 1.0 OE1 A:GLU425 4.6 17.7 1.0 N A:PRO388 4.6 17.7 1.0 OAD A:ARK1770 4.6 15.9 0.3 NBE A:ARK1770 4.8 15.7 0.7 CBK A:ARK1770 4.8 17.0 0.3 OG A:SER454 4.8 21.6 1.0 CA A:ARK1770 4.9 23.0 0.7 O A:ARK1770 4.9 23.7 0.7 CA A:ARK1770 4.9 17.0 0.3 O A:HOH2504 4.9 33.3 1.0 C A:ARK1770 4.9 22.8 0.7 N A:ARK1770 5.0 15.8 0.3 CG A:GLU424 5.0 16.2 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