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Zinc 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
Calcium (Ca) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where 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:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6fe5

Go back to Zinc Binding Sites List in 6fe5
Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn816

b:23.0
occ:1.00
O A:HOH1305 2.0 21.1 1.0
NE2 A:HIS553 2.0 20.2 1.0
OD2 A:ASP387 2.0 26.2 1.0
OE2 A:GLU425 2.1 21.7 1.0
OE1 A:GLU425 2.4 21.9 1.0
CD A:GLU425 2.6 22.2 1.0
OAF A:D6E821 2.9 23.5 1.0
CG A:ASP387 2.9 23.9 1.0
CE1 A:HIS553 3.0 21.0 1.0
CD2 A:HIS553 3.1 23.2 1.0
ZN A:ZN817 3.3 22.1 1.0
OD1 A:ASP387 3.3 20.9 1.0
CAR A:D6E821 3.7 24.5 1.0
CE1 A:TYR552 4.0 23.1 1.0
CA A:D6E821 4.1 23.6 1.0
ND1 A:HIS553 4.1 21.8 1.0
O A:HOH980 4.1 22.6 1.0
N A:D6E821 4.1 22.4 1.0
CG A:GLU425 4.1 21.4 1.0
CG A:HIS553 4.2 21.8 1.0
CB A:ASP387 4.3 23.1 1.0
OH A:TYR552 4.5 23.5 1.0
NE2 A:HIS377 4.5 21.1 1.0
NAN A:D6E821 4.5 23.6 1.0
CD1 A:TRP381 4.6 22.1 1.0
CZ A:TYR552 4.6 23.9 1.0
CE1 A:HIS377 4.7 20.6 1.0
C A:D6E821 4.7 25.1 1.0
NE1 A:TRP381 4.8 22.6 1.0
SD A:MET424 4.8 22.5 1.0
OXT A:D6E821 4.9 23.5 1.0
O A:HOH1171 4.9 32.2 1.0
CAU A:D6E821 4.9 25.0 1.0
CD1 A:TYR552 4.9 23.9 1.0
OD2 A:ASP453 5.0 21.5 1.0

Zinc binding site 2 out of 2 in 6fe5

Go back to Zinc Binding Sites List in 6fe5
Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn binding site number 2 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:Zn817

b:22.1
occ:1.00
O A:HOH1305 1.8 21.1 1.0
OD2 A:ASP453 2.0 21.5 1.0
NE2 A:HIS377 2.0 21.1 1.0
OD1 A:ASP387 2.1 20.9 1.0
CG A:ASP453 2.7 23.1 1.0
OD1 A:ASP453 2.8 23.3 1.0
CG A:ASP387 3.0 23.9 1.0
CE1 A:HIS377 3.0 20.6 1.0
CD2 A:HIS377 3.1 20.7 1.0
ZN A:ZN816 3.3 23.0 1.0
OD2 A:ASP387 3.3 26.2 1.0
CE A:MET424 3.7 21.1 1.0
OE2 A:GLU425 3.7 21.7 1.0
SD A:MET424 4.0 22.5 1.0
ND1 A:HIS377 4.1 21.3 1.0
CB A:ASP453 4.1 21.3 1.0
CG A:HIS377 4.2 20.0 1.0
CB A:ASP387 4.2 23.1 1.0
CB A:PRO388 4.4 21.5 1.0
CD A:GLU425 4.4 22.2 1.0
O A:HOH1171 4.4 32.2 1.0
ND2 A:ASN519 4.4 20.1 1.0
CA A:ASP387 4.6 23.7 1.0
CA A:PRO388 4.6 21.5 1.0
OE1 A:GLU425 4.6 21.9 1.0
C A:ASP387 4.7 23.4 1.0
OAF A:D6E821 4.7 23.5 1.0
CAR A:D6E821 4.7 24.5 1.0
OG A:SER454 4.7 23.8 1.0
N A:PRO388 4.7 22.5 1.0
NAN A:D6E821 4.8 23.6 1.0
OAE A:D6E821 5.0 26.7 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 Oct 28 20:53:45 2024

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