Atomistry » Calcium » PDB 4opq-4p4f » 4p45
Atomistry »
  Calcium »
    PDB 4opq-4p4f »
      4p45 »

Calcium 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
Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium 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:

Calcium binding site 1 out of 1 in 4p45

Go back to Calcium Binding Sites List in 4p45
Calcium 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 Calcium with other atoms in the Ca 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:Ca820

b:14.2
occ:1.00
 O A:TYR272 2.3 14.7 1.0
OE2 A:GLU436 2.3 16.4 1.0
O A:HOH1012 2.4 14.0 1.0
O A:THR269 2.4 13.7 1.0
OE1 A:GLU433 2.4 14.3 1.0
OE2 A:GLU433 2.5 13.9 1.0
OG1 A:THR269 2.5 13.1 1.0
CD A:GLU433 2.8 11.7 1.0
C A:THR269 3.3 13.8 1.0
CB A:THR269 3.3 14.4 1.0
C A:TYR272 3.4 13.1 1.0
CD A:GLU436 3.4 12.3 1.0
OE1 A:GLU436 3.9 12.1 1.0
CA A:THR269 3.9 14.4 1.0
N A:TYR272 4.0 12.2 1.0
CA A:PRO273 4.2 15.3 1.0
CB A:ASP266 4.2 11.1 1.0
N A:PRO270 4.2 14.1 1.0
N A:PRO273 4.2 15.4 1.0
N A:ALA274 4.3 15.6 1.0
CG A:GLU433 4.3 11.9 1.0
CA A:TYR272 4.4 13.4 1.0
C A:PRO273 4.4 16.7 1.0
N A:ASP266 4.4 11.8 1.0
CA A:PRO270 4.5 12.7 1.0
N A:GLY271 4.5 14.6 1.0
O A:ASP266 4.5 13.3 1.0
O A:ALA264 4.5 12.7 1.0
N A:THR269 4.6 13.2 1.0
CG2 A:THR269 4.7 15.0 1.0
CG A:GLU436 4.7 12.2 1.0
OD2 A:ASP266 4.8 15.6 1.0
C A:PRO270 4.8 14.9 1.0
CA A:ASP266 4.9 12.3 1.0
CB A:ALA274 4.9 14.7 1.0
CB A:GLU436 5.0 12.2 1.0
C A:GLY271 5.0 13.8 1.0
CA A:GLU433 5.0 11.1 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: Sun Jul 14 11:38:07 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy