Atomistry » Chlorine » PDB 4wxe-4x90 » 4x3r
Atomistry »
  Chlorine »
    PDB 4wxe-4x90 »
      4x3r »

Chlorine 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
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Avi-Gcpii Structure in Complex with Fitc-Conjugated Gcpii-Specific Inhibitor, PDB code: 4x3r:

Chlorine binding site 1 out of 1 in 4x3r

Go back to Chlorine Binding Sites List in 4x3r
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1303

b:20.5
occ:1.00
 O A:HOH1526 3.1 20.8 1.0
ND2 A:ASN451 3.3 19.4 1.0
NE A:ARG534 3.3 20.5 1.0
NH1 A:ARG534 3.3 20.5 1.0
N A:ASP453 3.4 20.2 1.0
NH2 A:ARG536 3.5 21.2 1.0
CB A:ASP453 3.7 18.8 1.0
CZ A:ARG534 3.8 21.4 1.0
CA A:ASP453 3.9 20.0 1.0
CB A:ARG534 4.0 20.5 1.0
NH2 A:ARG580 4.1 20.6 1.0
C A:ASP453 4.1 21.2 1.0
CB A:ASN451 4.3 18.4 1.0
CG A:ASN451 4.3 18.3 1.0
CZ A:ARG536 4.3 21.6 1.0
O A:ASP453 4.3 19.8 1.0
N A:ALA452 4.3 19.1 1.0
NE A:ARG536 4.4 23.1 1.0
C A:ALA452 4.4 20.5 1.0
CA A:ALA452 4.5 20.1 1.0
C A:ASN451 4.5 20.0 1.0
CD A:ARG534 4.5 22.2 1.0
O A:SER454 4.5 22.0 1.0
CG A:ARG534 4.6 21.2 1.0
O A:ASN451 4.6 20.4 1.0
N A:SER454 4.7 19.2 1.0
CZ A:ARG580 4.9 22.2 1.0
ND2 A:ASN519 4.9 19.6 1.0
O A:ALA535 5.0 19.9 1.0
CA A:ARG534 5.0 20.4 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: Fri Jul 26 03:12:50 2024

Last articles

Zn in 7Z1Z
Zn in 7Z78
Zn in 7Z31
Zn in 7Z71
Zn in 7Z7E
Zn in 7Z5H
Zn in 7Z70
Zn in 7Z6Z
Zn in 7Z6S
Zn in 7Z68
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy