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Chlorine in PDB 4ngs: Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor

Enzymatic activity of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor

All present enzymatic activity of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor:
3.4.17.21;

Protein crystallography data

The structure of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor, PDB code: 4ngs was solved by J.Tykvart, P.Pachl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.77 / 1.68
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.445, 130.046, 159.123, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 21

Other elements in 4ngs:

The structure of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor (pdb code 4ngs). 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 Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor, PDB code: 4ngs:

Chlorine binding site 1 out of 1 in 4ngs

Go back to Chlorine Binding Sites List in 4ngs
Chlorine binding site 1 out of 1 in the Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl818

b:15.3
occ:1.00
 O A:HOH908 3.2 16.1 1.0
ND2 A:ASN451 3.2 14.9 1.0
N A:ASP453 3.3 14.4 1.0
NE A:ARG534 3.4 15.7 1.0
NH1 A:ARG534 3.4 14.4 1.0
NH2 A:ARG536 3.5 16.1 1.0
CB A:ASP453 3.7 15.1 1.0
CZ A:ARG534 3.9 14.6 1.0
CA A:ASP453 3.9 15.1 1.0
CB A:ARG534 4.0 15.0 1.0
NH2 A:ARG580 4.1 15.6 1.0
C A:ASP453 4.1 16.5 1.0
CG A:ASN451 4.2 13.1 1.0
CB A:ASN451 4.2 12.8 1.0
CZ A:ARG536 4.2 18.0 1.0
O A:ASP453 4.3 16.4 1.0
NE A:ARG536 4.3 17.5 1.0
N A:ALA452 4.4 15.3 1.0
C A:ALA452 4.4 15.0 1.0
C A:ASN451 4.5 14.9 1.0
CA A:ALA452 4.5 15.3 1.0
CD A:ARG534 4.6 15.3 1.0
O A:ASN451 4.6 16.5 1.0
O A:SER454 4.6 15.6 1.0
N A:SER454 4.7 14.7 1.0
CG A:ARG534 4.7 14.5 1.0
ND2 A:ASN519 4.9 12.3 1.0
CZ A:ARG580 4.9 15.5 1.0
CA A:ARG534 4.9 15.3 1.0
CG A:ASN519 5.0 14.4 1.0

Reference:

J.Tykvart, J.Schimer, J.Barinkova, P.Pachl, L.Postova-Slavetinska, P.Majer, J.Konvalinka, P.Sacha. Rational Design of Urea-Based Glutamate Carboxypeptidase II (Gcpii) Inhibitors As Versatile Tools For Specific Drug Targeting and Delivery Bioorg.Med.Chem. 2014.
ISSN: ESSN 1464-3391
DOI: 10.1016/J.BMC.2014.05.061
Page generated: Sun Jul 21 22:13:43 2024

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