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Chlorine in PDB 4jz0: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1055

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1055

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1055:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1055, PDB code: 4jz0 was solved by C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.59 / 1.83
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.819, 130.399, 159.987, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 17.1

Other elements in 4jz0:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1055 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Zinc (Zn) 2 atoms
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 CTT1055 (pdb code 4jz0). 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 CTT1055, PDB code: 4jz0:

Chlorine binding site 1 out of 1 in 4jz0

Go back to Chlorine Binding Sites List in 4jz0
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1055


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 CTT1055 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:30.4
occ:1.00
 O A:HOH2020 3.2 24.0 1.0
ND2 A:ASN451 3.3 25.9 1.0
N A:ASP453 3.4 27.8 1.0
NE A:ARG534 3.4 29.7 1.0
NH1 A:ARG534 3.4 27.1 1.0
NH2 A:ARG536 3.5 29.9 1.0
CB A:ASP453 3.7 26.6 1.0
CZ A:ARG534 3.9 31.1 1.0
CA A:ASP453 3.9 27.2 1.0
CB A:ARG534 4.0 25.2 1.0
NH2 A:ARG580 4.0 27.4 1.0
C A:ASP453 4.1 29.1 1.0
CG A:ASN451 4.2 25.8 1.0
CB A:ASN451 4.2 25.2 1.0
CZ A:ARG536 4.3 33.7 1.0
N A:ALA452 4.3 27.3 1.0
O A:ASP453 4.3 30.4 1.0
NE A:ARG536 4.4 33.0 1.0
C A:ALA452 4.4 28.0 1.0
C A:ASN451 4.4 28.1 1.0
CA A:ALA452 4.5 28.2 1.0
CD A:ARG534 4.5 28.9 1.0
O A:SER454 4.5 29.2 1.0
O A:ASN451 4.6 27.6 1.0
CG A:ARG534 4.6 28.8 1.0
N A:SER454 4.7 28.1 1.0
CZ A:ARG580 4.9 29.8 1.0
O A:ALA535 4.9 28.8 1.0
CA A:ARG534 5.0 26.6 1.0
CA A:ASN451 5.0 25.7 1.0

Reference:

T.Ganguly, S.Dannoon, J.G.Geruntho, M.R.Hopkins, S.Murphy, H.Cahaya, J.E.Blecha, S.Jivan, C.Barinka, E.F.Jones, H.F.Vanbrocklin, C.E.Berkman. A High Affinity 18F-Labeled Phosphoramidate Peptidomimetic Inhibitor As A Psma-Targeted Pet Imaging Agent For Prostate Cancer To Be Published.
Page generated: Sat Dec 12 10:49:24 2020

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