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Calcium in PDB 6fe5: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor Jhu 2249

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor Jhu 2249

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor Jhu 2249:
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 Jhu 2249, PDB code: 6fe5 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 / 1.52
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.702, 130.687, 159.829, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 17.9

Other elements in 6fe5:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) - the E424M Inactive Mutant, in Complex with A Inhibitor Jhu 2249 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 Jhu 2249 (pdb code 6fe5). 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 Jhu 2249, PDB code: 6fe5:

Calcium binding site 1 out of 1 in 6fe5

Go back to Calcium Binding Sites List in 6fe5
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 Jhu 2249


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 Jhu 2249 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca818

b:20.3
occ:1.00
 OE2 A:GLU436 2.3 22.5 1.0
O A:TYR272 2.3 21.9 1.0
O A:HOH1003 2.4 21.3 1.0
OE1 A:GLU433 2.5 20.8 1.0
OG1 A:THR269 2.5 20.6 1.0
O A:THR269 2.5 20.6 1.0
OE2 A:GLU433 2.5 20.5 1.0
CD A:GLU433 2.8 20.3 1.0
C A:THR269 3.3 20.4 1.0
CB A:THR269 3.4 21.4 1.0
CD A:GLU436 3.4 22.0 1.0
C A:TYR272 3.4 20.1 1.0
OE1 A:GLU436 3.9 20.7 1.0
CA A:THR269 3.9 21.5 1.0
N A:TYR272 4.0 21.0 1.0
CA A:PRO273 4.2 21.8 1.0
CB A:ASP266 4.2 20.7 1.0
N A:ALA274 4.3 21.5 1.0
N A:PRO273 4.3 20.9 1.0
N A:PRO270 4.3 21.2 1.0
CG A:GLU433 4.3 20.2 1.0
CA A:TYR272 4.4 20.8 1.0
C A:PRO273 4.4 22.6 1.0
N A:ASP266 4.5 19.8 1.0
N A:GLY271 4.5 20.6 1.0
CA A:PRO270 4.5 21.6 1.0
O A:ASP266 4.6 22.7 1.0
O A:ALA264 4.6 22.1 1.0
N A:THR269 4.7 21.2 1.0
CG A:GLU436 4.7 20.1 1.0
CG2 A:THR269 4.7 22.1 1.0
C A:PRO270 4.8 21.8 1.0
OD2 A:ASP266 4.8 23.2 1.0
CA A:ASP266 4.9 21.0 1.0
CB A:ALA274 4.9 23.3 1.0
CB A:GLU436 4.9 19.9 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: Tue Jul 16 07:42:53 2024

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