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Calcium in PDB 4p44: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-81

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-81

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-81:
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-4-81, PDB code: 4p44 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) 29.51 / 1.75
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.505, 130.487, 158.939, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 18.7

Other elements in 4p44:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor Jrb-4-81 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-4-81 (pdb code 4p44). 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-4-81, PDB code: 4p44:

Calcium binding site 1 out of 1 in 4p44

Go back to Calcium Binding Sites List in 4p44
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-4-81


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-4-81 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca816

b:14.7
occ:1.00
 OE2 A:GLU436 2.3 15.9 1.0
O A:TYR272 2.3 15.4 1.0
O A:HOH1016 2.4 13.8 1.0
O A:THR269 2.4 14.5 1.0
OE2 A:GLU433 2.5 14.5 1.0
OE1 A:GLU433 2.5 15.4 1.0
OG1 A:THR269 2.5 14.4 1.0
CD A:GLU433 2.8 13.6 1.0
C A:THR269 3.3 15.7 1.0
CB A:THR269 3.4 14.5 1.0
C A:TYR272 3.4 13.3 1.0
CD A:GLU436 3.4 15.1 1.0
OE1 A:GLU436 3.8 14.9 1.0
CA A:THR269 3.9 15.0 1.0
N A:TYR272 4.0 14.8 1.0
CA A:PRO273 4.2 15.4 1.0
N A:PRO273 4.2 15.6 1.0
CB A:ASP266 4.2 13.5 1.0
N A:PRO270 4.3 15.1 1.0
N A:ALA274 4.3 15.3 1.0
CG A:GLU433 4.3 15.1 1.0
CA A:TYR272 4.4 14.1 1.0
C A:PRO273 4.4 16.9 1.0
N A:ASP266 4.4 13.2 1.0
CA A:PRO270 4.4 15.6 1.0
N A:GLY271 4.5 15.9 1.0
O A:ASP266 4.5 15.7 1.0
O A:ALA264 4.5 15.1 1.0
N A:THR269 4.6 14.9 1.0
CG A:GLU436 4.7 13.8 1.0
C A:PRO270 4.7 15.8 1.0
OD2 A:ASP266 4.8 16.3 1.0
CG2 A:THR269 4.8 14.1 1.0
CA A:ASP266 4.9 14.0 1.0
CB A:ALA274 4.9 16.0 1.0
CB A:GLU436 4.9 13.8 1.0
C A:GLY271 5.0 16.5 1.0
CA A:GLU433 5.0 11.9 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 05:03:09 2020

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