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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: Sat Dec 12 05:03:10 2020

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