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Calcium in PDB 3sjf: X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25)

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25)

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25):
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25), PDB code: 3sjf was solved by A.Plechanovova, Y.Byun, G.Alquicer, L.Skultetyova, P.Mlcochova, A.Nemcova, H.Kim, M.Navratil, R.Mease, J.Lubkowski, M.Pomper, J.Konvalinka, L.Rulisek, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.52 / 1.65
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.545, 130.431, 159.156, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 17.8

Other elements in 3sjf:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25) 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 in Complex with A Urea-Based Inhibitor (A25) (pdb code 3sjf). 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 in Complex with A Urea-Based Inhibitor (A25), PDB code: 3sjf:

Calcium binding site 1 out of 1 in 3sjf

Go back to Calcium Binding Sites List in 3sjf
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with A Urea-Based Inhibitor (A25)


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 in Complex with A Urea-Based Inhibitor (A25) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1753

b:13.9
occ:1.00
 O A:TYR272 2.3 17.6 1.0
OE2 A:GLU436 2.3 18.8 1.0
O A:THR269 2.4 17.3 1.0
O A:HOH1773 2.4 15.5 1.0
OE2 A:GLU433 2.5 17.8 1.0
OG1 A:THR269 2.5 16.8 1.0
OE1 A:GLU433 2.5 17.1 1.0
CD A:GLU433 2.8 17.8 1.0
C A:THR269 3.3 18.2 1.0
CB A:THR269 3.3 17.3 1.0
C A:TYR272 3.4 16.9 1.0
CD A:GLU436 3.4 19.1 1.0
OE1 A:GLU436 3.9 17.9 1.0
CA A:THR269 3.9 18.1 1.0
N A:TYR272 4.0 18.3 1.0
CA A:PRO273 4.2 17.4 1.0
CB A:ASP266 4.3 20.0 1.0
N A:ALA274 4.3 17.8 1.0
N A:PRO273 4.3 17.7 1.0
N A:PRO270 4.3 18.5 1.0
CA A:TYR272 4.3 17.7 1.0
CG A:GLU433 4.4 17.1 1.0
C A:PRO273 4.4 18.2 1.0
CA A:PRO270 4.5 17.9 1.0
N A:GLY271 4.5 18.4 1.0
N A:ASP266 4.5 16.8 1.0
O A:ASP266 4.5 19.5 1.0
O A:ALA264 4.6 20.3 1.0
N A:THR269 4.6 18.0 1.0
CG A:GLU436 4.7 16.2 1.0
CG2 A:THR269 4.7 19.3 1.0
C A:PRO270 4.7 18.2 1.0
OD2 A:ASP266 4.8 19.7 1.0
CB A:ALA274 4.9 19.6 1.0
CA A:ASP266 4.9 18.2 1.0
CB A:GLU436 4.9 16.0 1.0
C A:GLY271 4.9 19.2 1.0

Reference:

A.Plechanovova, Y.Byun, G.Alquicer, L.Skultetyova, P.Mlcochova, A.Nemcova, H.J.Kim, M.Navratil, R.Mease, J.Lubkowski, M.Pomper, J.Konvalinka, L.Rulisek, C.Barinka. Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity. J.Med.Chem. V. 54 7535 2011.
ISSN: ISSN 0022-2623
PubMed: 21923190
DOI: 10.1021/JM200807M
Page generated: Sat Jul 13 19:17:19 2024

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