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Fluorine 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:

Zinc (Zn) 2 atoms
Calcium (Ca) 1 atom
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine was determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Phosphoramidate Inhibitor CTT1056, PDB code: 4lqg:

Fluorine binding site 1 out of 1 in 4lqg

Go back to Fluorine Binding Sites List in 4lqg
Fluorine 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 Fluorine with other atoms in the F 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:F823

b:47.6
occ:1.00
FAM A:CTW823 0.0 47.6 1.0
CBI A:CTW823 1.6 52.5 1.0
CAN A:CTW823 2.6 51.7 1.0
CAO A:CTW823 2.6 51.7 1.0
O A:HOH1041 3.5 20.7 1.0
CG A:ARG463 3.6 20.5 1.0
CD A:ARG463 3.9 25.4 1.0
O A:HOH1442 3.9 24.8 1.0
CAP A:CTW823 3.9 53.8 1.0
CAQ A:CTW823 3.9 52.8 1.0
CB A:ARG463 4.0 17.1 1.0
CG2 A:THR538 4.1 20.2 1.0
O A:HOH972 4.2 17.7 1.0
CBJ A:CTW823 4.5 53.1 1.0
CA A:ARG463 4.6 17.7 1.0
NE A:ARG463 4.7 24.6 1.0
OG1 A:THR538 4.8 20.2 1.0
CD A:ARG511 4.8 28.9 1.0
OG A:SER501 4.9 26.6 1.0
CB A:THR538 4.9 19.8 1.0

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 Dec 13 12:07:14 2020

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