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Chlorine in PDB 2xej: Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor

Enzymatic activity of Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor

All present enzymatic activity of Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor:
3.4.17.21;

Protein crystallography data

The structure of Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor, PDB code: 2xej was solved by A.X.Zhang, R.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) 20.00 / 1.78
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.508, 129.958, 159.246, 90.00, 90.00, 90.00
R / Rfree (%) 15.665 / 18.467

Other elements in 2xej:

The structure of Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor (pdb code 2xej). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor, PDB code: 2xej:

Chlorine binding site 1 out of 1 in 2xej

Go back to Chlorine Binding Sites List in 2xej
Chlorine binding site 1 out of 1 in the Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Glutamate Carboxypeptidase II in Complex with Arm-M4, Urea-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1754

b:20.3
occ:1.00
 O A:HOH2306 3.2 16.4 1.0
ND2 A:ASN451 3.3 15.9 1.0
N A:ASP453 3.4 17.1 1.0
NE A:ARG534 3.4 17.9 1.0
NH2 A:ARG534 3.4 19.4 1.0
NH2 A:ARG536 3.5 21.9 1.0
CB A:ASP453 3.7 15.5 1.0
CZ A:ARG534 3.9 20.0 1.0
CA A:ASP453 3.9 17.3 1.0
CB A:ARG534 3.9 16.9 1.0
NH2 A:ARG580 4.0 17.4 1.0
C A:ASP453 4.1 19.0 1.0
CB A:ASN451 4.2 16.1 1.0
CG A:ASN451 4.2 17.6 1.0
O A:ASP453 4.3 19.2 1.0
CZ A:ARG536 4.3 21.8 1.0
N A:ALA452 4.4 17.2 1.0
C A:ALA452 4.4 17.8 1.0
NE A:ARG536 4.4 20.3 1.0
C A:ASN451 4.5 18.0 1.0
CA A:ALA452 4.5 17.6 1.0
CD A:ARG534 4.5 19.9 1.0
O A:SER454 4.6 20.0 1.0
CG A:ARG534 4.6 19.4 1.0
O A:ASN451 4.7 19.3 1.0
N A:SER454 4.7 18.2 1.0
CZ A:ARG580 4.9 22.2 1.0
ND2 A:ASN519 4.9 14.7 1.0
CA A:ARG534 5.0 17.5 1.0
CG A:ASN519 5.0 18.4 1.0
O A:ALA535 5.0 18.5 1.0

Reference:

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
Page generated: Sat Jul 20 13:47:28 2024

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