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Zinc 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
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 JHU3372 (pdb code 6ez9). 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 JHU3372, PDB code: 6ez9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6ez9

Go back to Zinc Binding Sites List in 6ez9
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 JHU3372


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 JHU3372 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn816

b:19.8
occ:1.00
NE2 A:HIS553 2.0 18.6 1.0
OE2 A:GLU425 2.0 18.0 1.0
OD2 A:ASP387 2.0 23.2 1.0
O A:HOH1339 2.0 16.5 1.0
OE1 A:GLU425 2.4 19.0 1.0
CD A:GLU425 2.6 18.4 1.0
CG A:ASP387 2.9 21.4 1.0
CE1 A:HIS553 3.0 18.5 1.0
CD2 A:HIS553 3.0 19.1 1.0
OAF A:C68820 3.0 24.2 1.0
ZN A:ZN817 3.3 19.1 1.0
OD1 A:ASP387 3.3 19.0 1.0
CAR A:C68820 3.8 26.1 1.0
O A:HOH1044 4.0 19.7 1.0
CG A:GLU425 4.1 17.5 1.0
ND1 A:HIS553 4.1 17.9 1.0
CE1 A:TYR552 4.1 20.6 1.0
CG A:HIS553 4.1 18.5 1.0
CA A:C68820 4.2 24.1 1.0
N A:C68820 4.3 24.2 1.0
CB A:ASP387 4.3 20.6 1.0
NE2 A:HIS377 4.4 17.4 1.0
OH A:TYR552 4.5 21.7 1.0
CE1 A:HIS377 4.6 18.2 1.0
CD1 A:TRP381 4.6 18.5 1.0
OAN A:C68820 4.6 26.7 1.0
CZ A:TYR552 4.7 21.5 1.0
C A:C68820 4.8 24.6 1.0
NE1 A:TRP381 4.8 19.6 1.0
SD A:MET424 4.8 20.6 1.0
O A:C68820 4.9 22.9 1.0
CD1 A:TYR552 5.0 22.8 1.0

Zinc binding site 2 out of 2 in 6ez9

Go back to Zinc Binding Sites List in 6ez9
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 JHU3372


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 JHU3372 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn817

b:19.1
occ:1.00
O A:HOH1339 1.8 16.5 1.0
NE2 A:HIS377 2.0 17.4 1.0
OD2 A:ASP453 2.0 19.0 1.0
OD1 A:ASP387 2.1 19.0 1.0
CG A:ASP453 2.7 20.9 1.0
OD1 A:ASP453 2.7 22.6 1.0
CG A:ASP387 3.0 21.4 1.0
CD2 A:HIS377 3.0 17.8 1.0
CE1 A:HIS377 3.0 18.2 1.0
ZN A:ZN816 3.3 19.8 1.0
OD2 A:ASP387 3.4 23.2 1.0
OE2 A:GLU425 3.7 18.0 1.0
CE A:MET424 3.8 18.4 1.0
SD A:MET424 4.0 20.6 1.0
ND1 A:HIS377 4.1 17.6 1.0
CB A:ASP453 4.1 18.9 1.0
CG A:HIS377 4.2 17.4 1.0
CB A:ASP387 4.2 20.6 1.0
CD A:GLU425 4.4 18.4 1.0
CB A:PRO388 4.4 17.5 1.0
ND2 A:ASN519 4.4 17.9 1.0
O A:HOH1097 4.5 34.6 1.0
CA A:ASP387 4.6 19.6 1.0
CA A:PRO388 4.6 18.2 1.0
OE1 A:GLU425 4.6 19.0 1.0
CAR A:C68820 4.6 26.1 1.0
C A:ASP387 4.7 19.4 1.0
OAN A:C68820 4.7 26.7 1.0
OAF A:C68820 4.7 24.2 1.0
N A:PRO388 4.7 18.6 1.0
OG A:SER454 4.7 22.7 1.0
OAE A:C68820 5.0 28.5 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 20:30:59 2024

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