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Bromine in PDB 4ngq: 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: 4ngq 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) 46.89 / 2.08
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.088, 130.347, 158.784, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 21.3

Other elements in 4ngq:

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

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

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor (pdb code 4ngq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Glutamate Carboxypeptidase II in A Complex with Urea-Based Inhibitor, PDB code: 4ngq:

Bromine binding site 1 out of 1 in 4ngq

Go back to Bromine Binding Sites List in 4ngq
Bromine 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 Bromine with other atoms in the Br 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:Br820

b:59.1
occ:1.00
 BR A:J37820 0.0 59.1 1.0
C54 A:J37820 1.9 46.2 1.0
C55 A:J37820 2.9 42.6 1.0
C53 A:J37820 3.0 51.2 1.0
CD A:ARG463 3.3 32.4 1.0
CG A:ARG463 3.6 32.7 1.0
CG A:ARG536 3.6 20.1 1.0
NE A:ARG463 3.7 44.8 1.0
NE A:ARG534 3.8 17.7 1.0
CD A:ARG534 3.9 18.3 1.0
CG A:ARG534 3.9 16.6 1.0
CD A:ARG536 4.0 24.1 1.0
OD1 A:ASP465 4.1 28.3 1.0
C56 A:J37820 4.2 44.6 1.0
NE A:ARG536 4.2 23.9 1.0
OD2 A:ASP465 4.2 28.2 1.0
CZ A:ARG534 4.3 16.7 1.0
CB A:ARG463 4.3 26.6 1.0
CG A:ASP465 4.3 24.4 1.0
C52 A:J37820 4.3 51.6 1.0
O A:ARG463 4.3 21.5 1.0
CZ A:ARG463 4.4 56.4 1.0
CZ A:ARG536 4.5 24.5 1.0
NH1 A:ARG463 4.6 59.6 1.0
N A:ARG536 4.6 15.8 1.0
C A:ARG463 4.6 22.8 1.0
NH1 A:ARG536 4.7 23.0 1.0
NH2 A:ARG534 4.7 15.7 1.0
C51 A:J37820 4.8 51.5 1.0
NH1 A:ARG534 4.8 15.9 1.0
CB A:ARG536 4.8 20.4 1.0
CB A:ARG534 4.9 15.1 1.0
N A:ASP465 4.9 18.5 1.0
N A:ALA535 4.9 13.9 1.0
O A:ARG534 4.9 14.5 1.0
CA A:ALA535 4.9 15.0 1.0
C A:ALA535 5.0 16.7 1.0
C A:ARG534 5.0 14.8 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: Sat Dec 12 02:21:50 2020

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