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Calcium in PDB 4oc0: X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine

Enzymatic activity of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)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 Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine, PDB code: 4oc0 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) 28.47 / 1.85
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.376, 129.938, 158.575, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 18.1

Other elements in 4oc0:

The structure of X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine also contains other interesting chemical elements:

Iodine (I) 1 atom
Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine (pdb code 4oc0). 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 of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine, PDB code: 4oc0:

Calcium binding site 1 out of 1 in 4oc0

Go back to Calcium Binding Sites List in 4oc0
Calcium binding site 1 out of 1 in the X-Ray Structure of of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine


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 of Human Glutamate Carboxypeptidase II (Gcpii) in A Complex with Ccibzl, A Urea-Based Inhibitor N~2~-[(1- Carboxycyclopropyl)Carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca816

b:21.9
occ:1.00
OE2 A:GLU436 2.3 23.8 1.0
O A:TYR272 2.3 22.8 1.0
O A:THR269 2.4 22.1 1.0
OE2 A:GLU433 2.4 23.6 1.0
OE1 A:GLU433 2.4 23.7 1.0
OG1 A:THR269 2.5 21.9 1.0
O A:HOH906 2.5 24.1 1.0
CD A:GLU433 2.8 23.6 1.0
C A:THR269 3.3 22.7 1.0
CB A:THR269 3.3 23.1 1.0
C A:TYR272 3.4 21.5 1.0
CD A:GLU436 3.4 25.1 1.0
OE1 A:GLU436 3.9 22.7 1.0
CA A:THR269 3.9 23.1 1.0
N A:TYR272 4.0 21.9 1.0
CA A:PRO273 4.2 23.6 1.0
N A:ALA274 4.2 21.9 1.0
N A:PRO273 4.2 23.9 1.0
CB A:ASP266 4.3 23.8 1.0
N A:PRO270 4.3 23.9 1.0
CG A:GLU433 4.3 24.5 1.0
CA A:TYR272 4.3 22.6 1.0
C A:PRO273 4.4 23.9 1.0
CA A:PRO270 4.5 22.6 1.0
N A:GLY271 4.5 23.0 1.0
O A:ASP266 4.5 23.1 1.0
N A:ASP266 4.5 22.8 1.0
O A:ALA264 4.6 24.8 1.0
N A:THR269 4.6 23.1 1.0
CG A:GLU436 4.7 21.4 1.0
CG2 A:THR269 4.7 21.6 1.0
C A:PRO270 4.7 23.6 1.0
OD2 A:ASP266 4.8 26.7 1.0
CA A:ASP266 4.9 23.5 1.0
CB A:GLU436 4.9 21.2 1.0
CB A:ALA274 4.9 24.3 1.0
C A:GLY271 5.0 24.2 1.0
CA A:GLU433 5.0 20.5 1.0

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 Jul 14 11:20:28 2024

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