Fluorine in PDB 6hkj: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1:
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 2-19-1, PDB code: 6hkj 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) 47.30 / 2.09
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.296, 131.658, 160.019, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 20.4

Other elements in 6hkj:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1 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 2-19-1 (pdb code 6hkj). 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 2-19-1, PDB code: 6hkj:

Fluorine binding site 1 out of 1 in 6hkj

Go back to Fluorine Binding Sites List in 6hkj
Fluorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii) in Complex with A Inhibitor Rna 2-19-1


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 2-19-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F818

b:80.6
occ:1.00
FAI A:G8W818 0.0 80.6 1.0
CAG A:G8W818 1.5 89.6 1.0
NAH A:G8W818 2.4 78.7 1.0
CAE A:G8W818 2.5 76.7 1.0
O A:LYS207 2.6 51.7 1.0
O A:HOH918 3.3 67.9 1.0
C A:LYS207 3.5 52.4 1.0
ND2 A:ASN698 3.6 47.2 1.0
CAF A:G8W818 3.7 76.5 1.0
CAC A:G8W818 3.8 70.7 1.0
CA A:LYS207 4.2 51.0 1.0
CAD A:G8W818 4.3 70.0 1.0
N A:VAL208 4.4 48.8 1.0
CG A:ASN698 4.6 48.6 1.0
CB A:TYR700 4.6 47.2 1.0
CD2 A:TYR700 4.7 44.8 1.0
CA A:VAL208 4.7 49.3 1.0
OD1 A:ASN698 4.7 45.2 1.0
N A:LYS207 4.9 50.2 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 12:53:25 2020

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