Fluorine in PDB 6h7y: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1, PDB code: 6h7y was solved by L.Motlova, Z.Novakova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.26 / 1.81
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.258, 131.376, 159.874, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 17.8

Other elements in 6h7y:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1 also contains other interesting chemical elements:

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

Fluorine Binding Sites:

The binding sites of Fluorine atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1 (pdb code 6h7y). 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 Inhibitor Rna 1-79-1, PDB code: 6h7y:

Fluorine binding site 1 out of 1 in 6h7y

Go back to Fluorine Binding Sites List in 6h7y
Fluorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 1-79-1


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 Inhibitor Rna 1-79-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F833

b:58.0
occ:1.00
 FAH A:FVZ833 0.0 58.0 1.0
CAF A:FVZ833 1.5 55.1 1.0
CAD A:FVZ833 2.5 54.3 1.0
CAG A:FVZ833 2.5 52.0 1.0
O A:LYS207 3.1 36.0 0.6
O A:PHE546 3.2 57.5 1.0
CA A:LYS207 3.4 37.6 0.4
C A:PHE546 3.4 62.9 1.0
O A:LYS207 3.4 36.3 0.4
CA A:LYS207 3.5 37.5 0.6
C A:LYS207 3.6 37.4 0.6
C A:LYS207 3.6 37.3 0.4
O A:HOH936 3.7 62.4 1.0
N A:LYS207 3.7 37.2 0.4
N A:LYS207 3.7 37.4 0.6
CA A:PHE546 3.8 67.1 1.0
CAE A:FVZ833 3.8 49.1 1.0
CAB A:FVZ833 3.8 49.4 1.0
N A:SER547 4.0 55.7 1.0
CAC A:FVZ833 4.3 48.6 1.0
CB A:PHE546 4.5 70.9 1.0
CA A:SER547 4.6 53.5 1.0
CB A:LYS207 4.6 40.3 0.4
N A:VAL208 4.7 36.3 1.0
CB A:LYS207 4.9 41.0 0.6
O A:LYS545 5.0 65.7 1.0
C A:GLY206 5.0 36.3 1.0

Reference:

R.Nakajima, Z.Novakova, W.Tueckmantel, L.Motlova, C.Barinka, A.P.Kozikowski. 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands For Potential Use As Theranostics. Acs Med Chem Lett V. 9 1099 2018.
ISSN: ISSN 1948-5875
PubMed: 30429952
DOI: 10.1021/ACSMEDCHEMLETT.8B00318
Page generated: Sun Dec 13 12:52:02 2020

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