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Fluorine in PDB 6hkz: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1:
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 2-49-1, PDB code: 6hkz 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) 47.59 / 2.09
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.956, 132.259, 161.589, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 20.3

Other elements in 6hkz:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1 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 Inhibitor Rna 2-49-1 (pdb code 6hkz). 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 2-49-1, PDB code: 6hkz:

Fluorine binding site 1 out of 1 in 6hkz

Go back to Fluorine Binding Sites List in 6hkz
Fluorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-49-1


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 2-49-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F818

b:0.8
occ:1.00
 FAB A:GBZ818 0.0 0.8 1.0
CAA A:GBZ818 1.3 0.4 1.0
CAC A:GBZ818 2.3 0.1 1.0
NAG A:GBZ818 2.4 0.7 1.0
OD2 A:ASP465 3.0 53.2 1.0
O A:LYS514 3.3 52.5 0.5
O A:LYS514 3.4 48.4 0.5
CG A:ASP465 3.6 54.5 1.0
CB A:SER513 3.6 52.7 1.0
CAD A:GBZ818 3.6 0.1 1.0
CAF A:GBZ818 3.7 0.9 1.0
O A:HOH930 3.9 50.1 1.0
OD1 A:ASP465 3.9 54.7 1.0
CAE A:GBZ818 4.1 0.7 1.0
OG A:SER513 4.2 55.5 1.0
NH2 A:ARG463 4.4 59.4 1.0
C A:LYS514 4.5 53.6 0.5
CB A:ASP465 4.5 51.0 1.0
C A:LYS514 4.6 49.5 0.5
N A:LYS514 4.9 53.2 0.5
CA A:SER513 4.9 53.3 1.0
N A:GLY516 4.9 46.5 1.0
N A:LYS514 5.0 49.0 0.5
C A:SER513 5.0 53.0 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: Thu Aug 1 21:11:48 2024

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