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Calcium in PDB 6s1x: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160, PDB code: 6s1x was solved by C.Barinka, Z.Kutil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.00 / 1.76
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.404, 130.150, 159.268, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 19.4

Other elements in 6s1x:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160 also contains other interesting chemical elements:

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

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160 (pdb code 6s1x). 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)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160, PDB code: 6s1x:

Calcium binding site 1 out of 1 in 6s1x

Go back to Calcium Binding Sites List in 6s1x
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160


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)-E424M Inactive Mutant, in Complex with A Inhibitor KB1160 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca818

b:26.1
occ:1.00
 O A:TYR272 2.3 24.9 1.0
OE2 A:GLU436 2.4 28.5 1.0
OE1 A:GLU433 2.4 26.6 1.0
O A:HOH975 2.4 24.9 1.0
OE2 A:GLU433 2.5 26.8 1.0
O A:THR269 2.5 27.5 1.0
OG1 A:THR269 2.5 24.9 1.0
CD A:GLU433 2.8 26.0 1.0
CB A:THR269 3.3 25.9 1.0
C A:THR269 3.3 26.8 1.0
C A:TYR272 3.4 24.6 1.0
CD A:GLU436 3.5 25.1 1.0
CA A:THR269 3.9 25.7 1.0
OE1 A:GLU436 3.9 25.2 1.0
N A:TYR272 3.9 24.7 1.0
CA A:PRO273 4.2 27.3 1.0
N A:ALA274 4.2 25.6 1.0
CB A:ASP266 4.2 25.9 1.0
N A:PRO273 4.2 26.1 1.0
CG A:GLU433 4.3 26.0 1.0
N A:PRO270 4.3 25.6 1.0
C A:PRO273 4.3 29.1 1.0
CA A:TYR272 4.4 26.1 1.0
N A:ASP266 4.4 24.0 1.0
CA A:PRO270 4.5 25.1 1.0
O A:ASP266 4.5 25.9 1.0
N A:GLY271 4.5 26.6 1.0
O A:ALA264 4.6 24.8 1.0
N A:THR269 4.6 26.6 1.0
CG2 A:THR269 4.6 26.5 1.0
OD2 A:ASP266 4.7 28.3 1.0
CG A:GLU436 4.7 24.0 1.0
C A:PRO270 4.8 27.6 1.0
CB A:ALA274 4.9 28.7 1.0
CA A:ASP266 4.9 24.8 1.0
CB A:GLU436 4.9 25.1 1.0
C A:GLY271 5.0 27.8 1.0
CA A:GLU433 5.0 23.6 1.0
CA A:ALA274 5.0 26.9 1.0

Reference:

K.Kim, H.Kwon, C.Barinka, L.Motlova, S.Nam, D.Choi, H.Ha, H.Nam, S.H.Son, I.Minn, M.G.Pomper, X.Yang, Z.Kutil, Y.Byun. Novel Beta- and Gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. J.Med.Chem. V. 63 3261 2020.
ISSN: ISSN 0022-2623
PubMed: 32097010
DOI: 10.1021/ACS.JMEDCHEM.9B02022
Page generated: Tue Jul 16 14:29:42 2024

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