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Chlorine in PDB 4ome: X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety, PDB code: 4ome was solved by C.Barinka, J.Ptacek, Z.Novakova, Y.Byun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.43 / 1.79
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.316, 130.564, 158.073, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 18.4

Other elements in 4ome:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety 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 X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety (pdb code 4ome). 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 X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety, PDB code: 4ome:

Chlorine binding site 1 out of 1 in 4ome

Go back to Chlorine Binding Sites List in 4ome
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety


Mono view


Stereo pair view

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

b:12.1
occ:1.00
 O A:HOH1448 3.0 26.0 0.7
O A:HOH920 3.3 10.9 1.0
ND2 A:ASN451 3.3 14.9 1.0
NH1 A:ARG534 3.3 16.0 1.0
N A:ASP453 3.4 16.1 1.0
NE A:ARG534 3.4 16.8 1.0
NH2 A:ARG536 3.5 20.3 1.0
CB A:ASP453 3.7 16.3 1.0
CZ A:ARG534 3.8 17.1 1.0
CA A:ASP453 3.9 16.8 1.0
CB A:ARG534 3.9 16.6 1.0
NH2 A:ARG580 4.0 16.9 1.0
C A:ASP453 4.1 17.6 1.0
CB A:ASN451 4.2 15.0 1.0
CG A:ASN451 4.2 15.3 1.0
N A:ALA452 4.3 15.3 1.0
O A:ASP453 4.3 17.9 1.0
CZ A:ARG536 4.3 20.7 1.0
C A:ALA452 4.4 16.3 1.0
NE A:ARG536 4.4 19.7 1.0
C A:ASN451 4.4 16.0 1.0
CA A:ALA452 4.5 16.5 1.0
CD A:ARG534 4.6 17.3 1.0
O A:SER454 4.6 18.5 0.8
O A:ASN451 4.6 16.6 1.0
O A:SER454 4.7 18.8 0.2
CG A:ARG534 4.7 17.4 1.0
N A:SER454 4.8 17.1 0.8
N A:SER454 4.8 17.6 0.2
CZ A:ARG580 4.9 17.7 1.0
ND2 A:ASN519 4.9 15.1 1.0
CA A:ARG534 5.0 15.7 1.0

Reference:

C.Barinka, J.Ptacek, Z.Novakova, Y.Byun. X-Ray Structure of Human Glutamate Carboxypeptidase II in Complex with Dccbl, A Urea Based Inhibitor with Distal Carborane Moiety To Be Published.
Page generated: Sat Dec 12 11:01:15 2020

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