Atomistry » Calcium » PDB 3s9w-3snz » 3sjf
Atomistry »
  Calcium »
    PDB 3s9w-3snz »
      3sjf »

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 Dec 12 04:30:06 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy