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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

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