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Calcium in PDB 4lqg: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056:
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 CTT1056, PDB code: 4lqg was solved by C.Barinka, L.Skultetyova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.51 / 1.77
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.900, 130.233, 158.252, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 18.2

Other elements in 4lqg:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056 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 CTT1056 (pdb code 4lqg). 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 CTT1056, PDB code: 4lqg:

Calcium binding site 1 out of 1 in 4lqg

Go back to Calcium Binding Sites List in 4lqg
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056


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 CTT1056 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca803

b:11.6
occ:1.00
 OE2 A:GLU436 2.3 12.7 1.0
O A:HOH905 2.4 11.2 1.0
O A:TYR272 2.4 12.6 1.0
O A:THR269 2.4 10.9 1.0
OE2 A:GLU433 2.4 11.2 1.0
OG1 A:THR269 2.4 12.1 1.0
OE1 A:GLU433 2.5 11.1 1.0
CD A:GLU433 2.8 10.3 1.0
C A:THR269 3.3 12.1 1.0
CB A:THR269 3.3 11.2 1.0
CD A:GLU436 3.4 11.4 1.0
C A:TYR272 3.5 11.0 1.0
CA A:THR269 3.9 11.5 1.0
OE1 A:GLU436 3.9 12.7 1.0
N A:TYR272 4.0 11.3 1.0
CA A:PRO273 4.2 12.7 1.0
CB A:ASP266 4.2 10.5 1.0
N A:PRO270 4.3 11.2 1.0
N A:ALA274 4.3 12.8 1.0
N A:PRO273 4.3 13.4 1.0
CG A:GLU433 4.3 10.5 1.0
CA A:TYR272 4.4 11.8 1.0
C A:PRO273 4.4 14.2 1.0
N A:ASP266 4.4 9.8 1.0
CA A:PRO270 4.4 11.7 1.0
N A:GLY271 4.5 11.4 1.0
O A:ASP266 4.5 12.8 1.0
O A:ALA264 4.5 12.2 1.0
N A:THR269 4.6 11.8 1.0
CG A:GLU436 4.7 9.4 1.0
OD2 A:ASP266 4.7 13.9 1.0
CG2 A:THR269 4.7 10.7 1.0
C A:PRO270 4.7 12.7 1.0
CA A:ASP266 4.9 11.5 1.0
CB A:GLU436 4.9 10.5 1.0
CB A:ALA274 4.9 12.8 1.0
C A:GLY271 4.9 13.4 1.0
CA A:GLU433 5.0 9.3 1.0

Reference:

S.Dannoon, T.Ganguly, H.Cahaya, J.G.Geruntho, M.R.Hopkins, M.Regan, J.E.Blecha, S.Jivan, C.Barinka, E.F.Jones, H.F.Vanbrocklin, C.E.Berkman. Structure-Activity Relationship of 18F-Labeled Phosphoramidate Peptidomimetic Psma-Targeted Inhibitor Analogues For Pet Imaging of Prostate Cancer To Be Published.
Page generated: Sat Dec 12 04:57:12 2020

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