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Chlorine 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:

Calcium (Ca) 1 atom
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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:

Chlorine binding site 1 out of 1 in 6fe5

Go back to Chlorine Binding Sites List in 6fe5
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl819

b:25.8
occ:1.00
O A:HOH997 3.2 25.4 1.0
ND2 A:ASN451 3.3 22.2 1.0
NE A:ARG534 3.4 24.5 1.0
N A:ASP453 3.4 22.5 1.0
NH2 A:ARG534 3.4 24.6 1.0
NH2 A:ARG536 3.5 27.4 1.0
CB A:ASP453 3.8 21.3 1.0
CZ A:ARG534 3.9 23.1 1.0
CA A:ASP453 3.9 21.8 1.0
CB A:ARG534 3.9 22.4 1.0
NH2 A:ARG580 4.0 23.5 1.0
C A:ASP453 4.1 24.0 1.0
CG A:ASN451 4.2 21.6 1.0
CB A:ASN451 4.3 21.5 1.0
CZ A:ARG536 4.3 28.6 1.0
O A:ASP453 4.3 23.8 1.0
NE A:ARG536 4.3 28.6 1.0
N A:ALA452 4.4 21.6 1.0
C A:ALA452 4.4 22.4 1.0
CD A:ARG534 4.5 23.9 1.0
CA A:ALA452 4.5 22.6 1.0
O A:SER454 4.5 24.5 1.0
C A:ASN451 4.6 22.8 1.0
CG A:ARG534 4.6 23.4 1.0
N A:SER454 4.7 23.6 1.0
O A:ASN451 4.7 25.2 1.0
ND2 A:ASN519 4.8 20.1 1.0
O A:ALA535 4.9 24.4 1.0
CZ A:ARG580 4.9 23.6 1.0
CG A:ASN519 4.9 20.8 1.0
CA A:ARG534 5.0 22.0 1.0
N A:ALA535 5.0 22.6 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: Sat Dec 12 12:58:37 2020

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