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Calcium in PDB 6ez9: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372, PDB code: 6ez9 was solved by C.Barinka, Z.Novakova, L.Motlova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.61
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.742, 130.449, 159.796, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 18.1

Other elements in 6ez9:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372 (pdb code 6ez9). 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) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372, PDB code: 6ez9:

Calcium binding site 1 out of 1 in 6ez9

Go back to Calcium Binding Sites List in 6ez9
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372


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) - the E424M Inactive Mutant, in Complex with A Inhibitor JHU3372 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca818

b:17.5
occ:1.00
 OE2 A:GLU436 2.3 18.9 1.0
O A:TYR272 2.3 18.5 1.0
O A:HOH921 2.4 19.4 1.0
O A:THR269 2.4 18.4 1.0
OG1 A:THR269 2.5 17.9 1.0
OE1 A:GLU433 2.5 18.2 1.0
OE2 A:GLU433 2.5 17.9 1.0
CD A:GLU433 2.9 17.5 1.0
C A:THR269 3.3 17.9 1.0
CB A:THR269 3.3 18.9 1.0
CD A:GLU436 3.4 18.3 1.0
C A:TYR272 3.4 17.7 1.0
OE1 A:GLU436 3.9 18.7 1.0
CA A:THR269 3.9 18.8 1.0
N A:TYR272 4.0 18.6 1.0
N A:ALA274 4.2 18.9 1.0
CA A:PRO273 4.2 18.5 1.0
CB A:ASP266 4.3 18.7 1.0
N A:PRO273 4.3 18.6 1.0
N A:PRO270 4.3 18.8 1.0
CA A:TYR272 4.3 18.2 1.0
CG A:GLU433 4.3 17.3 1.0
N A:ASP266 4.4 17.2 1.0
C A:PRO273 4.4 19.6 1.0
CA A:PRO270 4.5 19.3 1.0
N A:GLY271 4.5 19.4 1.0
O A:ALA264 4.5 20.2 1.0
O A:ASP266 4.6 19.6 1.0
N A:THR269 4.6 18.9 1.0
CG A:GLU436 4.6 16.9 1.0
CG2 A:THR269 4.7 18.8 1.0
C A:PRO270 4.7 19.8 1.0
OD2 A:ASP266 4.8 20.3 1.0
CA A:ASP266 4.9 18.1 1.0
CB A:GLU436 4.9 18.0 1.0
CB A:ALA274 4.9 20.5 1.0
C A:GLY271 5.0 19.6 1.0

Reference:

C.Barinka, Z.Novakova, N.Hin, D.Bim, D.V.Ferraris, B.Duvall, G.Kabarriti, R.Tsukamoto, M.Budesinsky, L.Motlova, C.Rojas, B.S.Slusher, T.A.Rokob, L.Rulisek, T.Tsukamoto. Structural and Computational Basis For Potent Inhibition of Glutamate Carboxypeptidase II By Carbamate-Based Inhibitors. Bioorg.Med.Chem. V. 27 255 2019.
ISSN: ESSN 1464-3391
PubMed: 30552009
DOI: 10.1016/J.BMC.2018.11.022
Page generated: Mon Jul 15 18:41:13 2024

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