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Fluorine in PDB 5of0: X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog, PDB code: 5of0 was solved by Z.Novakova, L.Motlova, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.25 / 1.48
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.467, 130.461, 159.574, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 17.2

Other elements in 5of0:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog 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), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog (pdb code 5of0). 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), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog, PDB code: 5of0:

Fluorine binding site 1 out of 1 in 5of0

Go back to Fluorine Binding Sites List in 5of0
Fluorine binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (Gcpii), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog


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), the E424M Inactive Mutant, in Complex with A Inhibitor Cfbzog within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F822

b:62.1
occ:1.00
 FAI A:9TB822 0.0 62.1 1.0
CBB A:9TB822 1.4 61.8 1.0
CAK A:9TB822 2.4 62.1 1.0
CAJ A:9TB822 2.4 62.3 1.0
CG A:ARG534 3.5 30.3 1.0
CG A:ARG536 3.6 34.9 1.0
CAM A:9TB822 3.6 62.4 1.0
NE A:ARG534 3.7 31.7 1.0
CAL A:9TB822 3.7 58.2 1.0
CD A:ARG534 3.8 31.4 1.0
O A:ARG463 3.8 33.8 1.0
CG A:ARG463 4.0 42.9 1.0
N A:ARG536 4.1 31.9 1.0
CBC A:9TB822 4.2 64.4 1.0
CD A:ARG463 4.2 46.3 1.0
CA A:ALA535 4.2 31.0 1.0
N A:ALA535 4.2 31.3 1.0
C A:ALA535 4.2 31.3 1.0
CD A:ARG536 4.3 36.2 1.0
C A:ARG534 4.3 30.2 1.0
CB A:ARG534 4.3 30.8 1.0
NE A:ARG536 4.3 35.4 1.0
C A:ARG463 4.3 34.3 1.0
CB A:ARG463 4.3 37.6 1.0
O A:ARG534 4.3 30.9 1.0
CZ A:ARG534 4.3 31.0 1.0
CB A:ARG536 4.4 34.6 1.0
OD1 A:ASP465 4.6 41.5 1.0
CG A:ASP465 4.6 41.0 1.0
N A:ASP465 4.6 32.0 1.0
OD2 A:ASP465 4.8 43.5 1.0
CA A:ARG536 4.8 33.5 1.0
CZ A:ARG536 4.9 35.1 1.0
N A:VAL464 4.9 32.0 1.0
NH2 A:ARG534 4.9 32.0 1.0
NE A:ARG463 4.9 51.0 1.0
CA A:VAL464 4.9 32.2 1.0
O A:ALA535 4.9 32.1 1.0
CA A:ARG534 5.0 30.0 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 12:21:28 2024

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