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Chlorine in PDB 4lqg: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056, PDB code: 4lqg was solved by C.Barinka, L.Skultetyova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.51 / 1.77
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.900, 130.233, 158.252, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 18.2

Other elements in 4lqg:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056 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 A Phosphoramidate Inhibitor CTT1056 (pdb code 4lqg). 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 Phosphoramidate Inhibitor CTT1056, PDB code: 4lqg:

Chlorine binding site 1 out of 1 in 4lqg

Go back to Chlorine Binding Sites List in 4lqg
Chlorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056


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 Phosphoramidate Inhibitor CTT1056 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:18.0
occ:1.00
 O A:HOH920 3.1 13.2 1.0
N A:ASP453 3.3 11.9 1.0
ND2 A:ASN451 3.3 12.7 1.0
NE A:ARG534 3.4 24.4 1.0
NH2 A:ARG536 3.4 9.2 0.5
NH1 A:ARG534 3.4 19.4 1.0
CB A:ARG534 3.8 15.2 1.0
CB A:ASP453 3.8 11.0 1.0
CZ A:ARG534 3.9 25.7 1.0
NH2 A:ARG580 3.9 11.7 1.0
NH1 A:ARG536 3.9 32.1 0.5
CA A:ASP453 4.0 11.9 1.0
CB A:ASN451 4.0 11.0 1.0
CG A:ASN451 4.1 11.6 1.0
N A:ALA452 4.1 12.7 1.0
C A:ASN451 4.2 12.6 1.0
C A:ASP453 4.2 12.8 1.0
CZ A:ARG536 4.3 18.0 0.5
O A:ASP453 4.3 14.5 1.0
CA A:ALA452 4.3 12.6 1.0
C A:ALA452 4.3 13.1 1.0
O A:ASN451 4.4 13.2 1.0
CD A:ARG534 4.4 26.9 1.0
CG A:ARG534 4.5 20.8 1.0
O A:SER454 4.7 14.8 0.8
CZ A:ARG580 4.7 15.8 1.0
NE A:ARG536 4.7 17.1 0.5
O A:ALA535 4.8 14.0 1.0
CA A:ASN451 4.8 11.2 1.0
CZ A:ARG536 4.8 28.1 0.5
CA A:ARG534 4.8 14.8 1.0
O A:HOH1421 4.9 29.0 1.0
N A:ALA535 4.9 14.9 1.0
N A:SER454 5.0 13.2 0.2
N A:SER454 5.0 12.7 0.8

Reference:

S.Dannoon, T.Ganguly, H.Cahaya, J.G.Geruntho, M.R.Hopkins, M.Regan, J.E.Blecha, S.Jivan, C.Barinka, E.F.Jones, H.F.Vanbrocklin, C.E.Berkman. Structure-Activity Relationship of 18F-Labeled Phosphoramidate Peptidomimetic Psma-Targeted Inhibitor Analogues For Pet Imaging of Prostate Cancer To Be Published.
Page generated: Sun Jul 21 19:08:47 2024

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