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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

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