Chlorine in PDB 6rbc: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157, PDB code: 6rbc was solved by C.Barinka, Z.Kutil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.00 / 1.77
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.551, 130.470, 159.045, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19.1

Other elements in 6rbc:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157 also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157 (pdb code 6rbc). 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 (Gcpii) in Complex with A Inhibitor KB1157, PDB code: 6rbc:

Chlorine binding site 1 out of 1 in 6rbc

Go back to Chlorine Binding Sites List in 6rbc
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157


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 (Gcpii) in Complex with A Inhibitor KB1157 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl816

b:28.3
occ:1.00
 O A:HOH965 3.2 27.8 1.0
ND2 A:ASN451 3.3 24.9 1.0
NH2 A:ARG536 3.4 34.2 1.0
NH2 A:ARG534 3.4 25.8 1.0
NE A:ARG534 3.4 30.4 1.0
N A:ASP453 3.4 23.9 1.0
CB A:ASP453 3.8 23.3 1.0
CZ A:ARG534 3.8 28.7 1.0
CA A:ASP453 4.0 25.6 1.0
CB A:ARG534 4.0 25.8 1.0
NH2 A:ARG580 4.0 25.0 1.0
CB A:ASN451 4.1 23.1 1.0
CG A:ASN451 4.1 24.4 1.0
C A:ASP453 4.2 26.4 1.0
N A:ALA452 4.2 25.4 1.0
O A:ASP453 4.3 25.3 1.0
CZ A:ARG536 4.3 38.9 1.0
C A:ASN451 4.3 25.2 1.0
NE A:ARG536 4.4 36.2 1.0
C A:ALA452 4.4 25.7 1.0
CA A:ALA452 4.5 25.9 1.0
O A:ASN451 4.5 27.2 1.0
CD A:ARG534 4.6 29.0 1.0
CG A:ARG534 4.7 29.0 1.0
ND2 A:ASN519 4.7 22.8 1.0
O A:SER454 4.8 27.7 1.0
CZ A:ARG580 4.8 26.9 1.0
CG A:ASN519 4.9 24.2 1.0
N A:SER454 4.9 25.3 1.0
CA A:ASN451 4.9 23.4 1.0

Reference:

C.Barinka, Z.Kutil. X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor KB1157 To Be Published.
Page generated: Sat Dec 12 13:35:51 2020

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