Atomistry » Calcium » PDB 4wnb-4x8d » 4x3r
Atomistry »
  Calcium »
    PDB 4wnb-4x8d »
      4x3r »

Calcium in PDB 4x3r: Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor

Enzymatic activity of Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor

All present enzymatic activity of Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor:
3.4.17.21;

Protein crystallography data

The structure of Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor, PDB code: 4x3r was solved by J.Tykvart, J.Konvalinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.86
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.710, 130.163, 159.536, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 18

Other elements in 4x3r:

The structure of Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Bromine (Br) 3 atoms
Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor (pdb code 4x3r). 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 Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor, PDB code: 4x3r:

Calcium binding site 1 out of 1 in 4x3r

Go back to Calcium Binding Sites List in 4x3r
Calcium binding site 1 out of 1 in the Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1304

b:17.6
occ:1.00
 OE2 A:GLU436 2.3 19.1 1.0
O A:TYR272 2.3 17.3 1.0
O A:HOH1514 2.4 17.1 1.0
O A:THR269 2.4 18.1 1.0
OG1 A:THR269 2.5 19.0 1.0
OE1 A:GLU433 2.5 17.3 1.0
OE2 A:GLU433 2.5 18.7 1.0
CD A:GLU433 2.8 17.4 1.0
C A:THR269 3.3 18.5 1.0
CB A:THR269 3.3 18.8 1.0
CD A:GLU436 3.4 18.8 1.0
C A:TYR272 3.4 17.4 1.0
OE1 A:GLU436 3.9 17.9 1.0
CA A:THR269 3.9 18.8 1.0
N A:TYR272 3.9 17.0 1.0
CA A:PRO273 4.2 19.0 1.0
N A:PRO270 4.2 18.2 1.0
CB A:ASP266 4.2 18.4 1.0
N A:ALA274 4.2 18.4 1.0
N A:PRO273 4.3 17.8 1.0
CG A:GLU433 4.3 18.6 1.0
CA A:TYR272 4.3 18.0 1.0
C A:PRO273 4.4 19.1 1.0
CA A:PRO270 4.4 19.3 1.0
N A:ASP266 4.5 17.1 1.0
N A:GLY271 4.5 18.5 1.0
O A:ALA264 4.6 17.9 1.0
O A:ASP266 4.6 18.6 1.0
N A:THR269 4.6 18.0 1.0
CG2 A:THR269 4.7 19.2 1.0
CG A:GLU436 4.7 18.1 1.0
OD2 A:ASP266 4.7 19.3 1.0
C A:PRO270 4.7 19.6 1.0
CA A:ASP266 4.9 17.7 1.0
CB A:ALA274 4.9 20.7 1.0
CB A:GLU436 4.9 17.3 1.0
C A:GLY271 4.9 19.5 1.0
CA A:GLU433 5.0 16.8 1.0

Reference:

J.Tykvart, J.Schimer, A.Jancarik, J.Barinkova, V.Navratil, J.Starkova, K.Sramkova, J.Konvalinka, P.Majer, P.Sacha. Design of Highly Potent Urea-Based, Exosite-Binding Inhibitors Selective For Glutamate Carboxypeptidase II. J.Med.Chem. V. 58 4357 2015.
ISSN: ISSN 0022-2623
PubMed: 25923815
DOI: 10.1021/ACS.JMEDCHEM.5B00278
Page generated: Sun Jul 14 14:27:21 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy