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Zinc in PDB 4oc4: X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine
Enzymatic activity of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine
All present enzymatic activity of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine:
3.4.17.21;
3.4.17.21;
Protein crystallography data
The structure of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine, PDB code: 4oc4
was solved by
J.Pavlicek,
J.Ptacek,
J.Cerny,
Y.Byun,
L.Skultetyova,
M.Pomper,
J.Lubkowski,
C.Barinka,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 19.99 / 1.66 |
| Space group | I 2 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 101.441, 130.459, 159.063, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 15.9 / 19.1 |
Other elements in 4oc4:
The structure of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine also contains other interesting chemical elements:
| Iodine | (I) | 1 atom |
| Chlorine | (Cl) | 1 atom |
| Calcium | (Ca) | 1 atom |
Zinc Binding Sites:
The binding sites of Zinc atom in the X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine
(pdb code 4oc4). 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 of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine, PDB code: 4oc4:
Jump to Zinc binding site number: 1; 2;
In total 2 binding sites of Zinc where determined in the X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine, PDB code: 4oc4:
Jump to Zinc binding site number: 1; 2;
Zinc binding site 1 out of 2 in 4oc4
Go back to
Zinc Binding Sites List in 4oc4
Zinc binding site 1 out
of 2 in the X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine
Mono view
Stereo pair view
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 of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine within 5.0Å range:
|
Zinc binding site 2 out of 2 in 4oc4
Go back to
Zinc Binding Sites List in 4oc4
Zinc binding site 2 out
of 2 in the X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine
Mono view
Stereo pair view
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 of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Cpibzl, A Urea-Based Inhibitor N~2~-{[(1S)-1-Carboxy-2- (Pyridin-4-Yl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine within 5.0Å range:
|
Reference:
J.Pavlicek,
J.Ptacek,
J.Cerny,
Y.Byun,
L.Skultetyova,
M.G.Pomper,
J.Lubkowski,
C.Barinka.
Structural Characterization of P1'-Diversified Urea-Based Inhibitors of Glutamate Carboxypeptidase II. Bioorg.Med.Chem.Lett. V. 24 2340 2014.
ISSN: ISSN 0960-894X
PubMed: 24731280
DOI: 10.1016/J.BMCL.2014.03.066
Page generated: Sun Oct 27 03:40:01 2024
ISSN: ISSN 0960-894X
PubMed: 24731280
DOI: 10.1016/J.BMCL.2014.03.066
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