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Calcium in PDB 5of0: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog:
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 Cfbzog, PDB code: 5of0 was solved by Z.Novakova, L.Motlova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.25 / 1.48
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.467, 130.461, 159.574, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 17.2

Other elements in 5of0:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog also contains other interesting chemical elements:

Fluorine (F) 1 atom
Zinc (Zn) 2 atoms
Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog (pdb code 5of0). 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 Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog, PDB code: 5of0:

Calcium binding site 1 out of 1 in 5of0

Go back to Calcium Binding Sites List in 5of0
Calcium 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 Cfbzog


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 Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca820

b:27.3
occ:1.00
 O A:TYR272 2.3 28.4 1.0
OE2 A:GLU436 2.3 28.4 1.0
O A:HOH1017 2.4 28.5 1.0
O A:THR269 2.4 27.2 1.0
OE1 A:GLU433 2.4 27.8 1.0
OG1 A:THR269 2.5 27.9 1.0
OE2 A:GLU433 2.5 27.6 1.0
CD A:GLU433 2.8 27.3 1.0
C A:THR269 3.3 27.3 1.0
CB A:THR269 3.4 28.0 1.0
C A:TYR272 3.4 27.0 1.0
CD A:GLU436 3.4 28.5 1.0
CA A:THR269 3.9 27.9 1.0
OE1 A:GLU436 3.9 27.8 1.0
N A:TYR272 4.0 27.8 1.0
CA A:PRO273 4.2 28.9 1.0
CB A:ASP266 4.2 28.6 1.0
N A:PRO273 4.2 27.8 1.0
N A:PRO270 4.3 28.2 1.0
N A:ALA274 4.3 29.4 1.0
CG A:GLU433 4.3 27.1 1.0
CA A:TYR272 4.3 28.2 1.0
C A:PRO273 4.4 30.4 1.0
CA A:PRO270 4.5 28.3 1.0
N A:ASP266 4.5 26.7 1.0
N A:GLY271 4.5 27.8 1.0
O A:ASP266 4.5 29.0 1.0
O A:ALA264 4.6 30.1 1.0
N A:THR269 4.6 27.1 1.0
CG2 A:THR269 4.7 28.9 1.0
CG A:GLU436 4.7 27.8 1.0
C A:PRO270 4.7 28.6 1.0
OD2 A:ASP266 4.8 29.7 1.0
CA A:ASP266 4.9 28.4 1.0
CB A:GLU436 4.9 27.7 1.0
CB A:ALA274 4.9 30.8 1.0
C A:GLY271 5.0 28.6 1.0

Reference:

R.Nakajima, Z.Novakova, W.Tueckmantel, L.Motlova, C.Barinka, A.P.Kozikowski. 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands For Potential Use As Theranostics. Acs Med Chem Lett V. 9 1099 2018.
ISSN: ISSN 1948-5875
PubMed: 30429952
DOI: 10.1021/ACSMEDCHEMLETT.8B00318
Page generated: Mon Jul 15 09:46:32 2024

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