Atomistry » Chlorine » PDB 4oz2-4p8p » 4p45
Atomistry »
  Chlorine »
    PDB 4oz2-4p8p »
      4p45 »

Chlorine in PDB 4p45: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73, PDB code: 4p45 was solved by Z.Novakova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.18 / 1.87
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.436, 130.310, 158.752, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 19.3

Other elements in 4p45:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73 also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73 (pdb code 4p45). 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 X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73, PDB code: 4p45:

Chlorine binding site 1 out of 1 in 4p45

Go back to Chlorine Binding Sites List in 4p45
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-73 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl821

b:21.0
occ:1.00
 O A:HOH1021 3.1 22.3 1.0
ND2 A:ASN451 3.2 14.4 1.0
NE A:ARG534 3.3 22.9 1.0
N A:ASP453 3.3 16.4 1.0
NH1 A:ARG534 3.4 20.5 1.0
NH1 A:ARG536 3.6 14.8 0.7
CD A:ARG536 3.6 20.7 0.3
CZ A:ARG534 3.8 23.3 1.0
CB A:ASP453 3.8 16.6 1.0
CB A:ARG534 3.8 16.8 1.0
NH2 A:ARG580 3.9 15.9 1.0
CA A:ASP453 4.0 16.8 1.0
CB A:ASN451 4.0 12.3 1.0
NE A:ARG536 4.0 19.4 0.3
CG A:ARG536 4.0 21.3 0.3
CG A:ASN451 4.1 14.0 1.0
N A:ALA452 4.2 16.2 1.0
C A:ASP453 4.2 17.8 1.0
C A:ASN451 4.2 15.4 1.0
O A:ASP453 4.3 18.3 1.0
C A:ALA452 4.3 17.1 1.0
CA A:ALA452 4.3 16.9 1.0
CZ A:ARG536 4.3 24.1 0.7
O A:ASN451 4.4 16.5 1.0
CD A:ARG534 4.4 23.4 1.0
NE A:ARG536 4.4 22.7 0.7
CZ A:ARG536 4.5 18.6 0.3
CG A:ARG534 4.5 20.3 1.0
NH2 A:ARG536 4.6 18.3 0.3
O A:SER454 4.7 19.2 1.0
CZ A:ARG580 4.7 19.3 1.0
CA A:ASN451 4.8 14.1 1.0
CA A:ARG534 4.9 16.1 1.0
O A:ALA535 4.9 17.8 1.0
N A:SER454 4.9 16.9 1.0
N A:ALA535 5.0 18.2 1.0

Reference:

Z.Novakova, C.Barinka. The Importance of the Non-Pharmacophore Pocket of Glutamate Carboxypeptidase II For the Design of Small-Molecule Inhibitors To Be Published.
Page generated: Thu Jul 25 23:48:51 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy