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Chlorine in PDB 4jyw: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057, PDB code: 4jyw was solved by C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.71 / 1.73
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.625, 130.326, 158.305, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 18.1

Other elements in 4jyw:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057 also contains other interesting chemical elements:

Fluorine (F) 2 atoms
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 CTT1057 (pdb code 4jyw). 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 CTT1057, PDB code: 4jyw:

Chlorine binding site 1 out of 1 in 4jyw

Go back to Chlorine Binding Sites List in 4jyw
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with CTT1057


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 CTT1057 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:15.2
occ:1.00
 O A:HOH921 3.1 12.3 1.0
NE A:ARG534 3.1 23.5 1.0
N A:ASP453 3.3 12.7 1.0
ND2 A:ASN451 3.3 15.2 1.0
NH1 A:ARG534 3.4 18.4 1.0
NH1 A:ARG536 3.5 20.2 1.0
CZ A:ARG534 3.7 25.6 1.0
CB A:ASP453 3.8 10.4 1.0
NH2 A:ARG580 3.8 13.2 1.0
CA A:ASP453 3.9 13.2 1.0
CB A:ARG534 4.0 13.0 1.0
C A:ASP453 4.0 14.1 1.0
CB A:ASN451 4.1 12.1 1.0
O A:ASP453 4.1 16.7 1.0
CD A:ARG534 4.2 22.7 1.0
CG A:ASN451 4.2 13.6 1.0
N A:ALA452 4.2 13.6 1.0
C A:ALA452 4.3 13.8 1.0
CA A:ALA452 4.3 13.6 1.0
C A:ASN451 4.3 14.0 1.0
CZ A:ARG536 4.4 21.0 1.0
O A:SER454 4.5 15.8 1.0
O A:ASN451 4.5 15.1 1.0
NE A:ARG536 4.5 20.7 1.0
CG A:ARG534 4.6 16.4 1.0
N A:SER454 4.6 14.3 1.0
CZ A:ARG580 4.7 18.9 1.0
O A:ALA535 4.7 15.8 1.0
N A:ALA535 4.9 14.1 1.0
CA A:ARG534 4.9 12.7 1.0
CA A:ASN451 4.9 13.3 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: Sun Jul 21 17:50:55 2024

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