Fluorine in PDB 8pbn: Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate

Enzymatic activity of Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate

All present enzymatic activity of Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate:
2.1.3.2; 3.5.2.3; 6.3.5.5;

Protein crystallography data

The structure of Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate, PDB code: 8pbn was solved by F.Del Cano-Ochoa, S.Ramon-Maiques, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.05 / 1.71
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.933, 158.236, 61.673, 90, 90, 90
R / Rfree (%) 14.5 / 18.7

Other elements in 8pbn:

The structure of Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate (pdb code 8pbn). 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 Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate, PDB code: 8pbn:

Fluorine binding site 1 out of 1 in 8pbn

Go back to Fluorine Binding Sites List in 8pbn
Fluorine binding site 1 out of 1 in the Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mutant R1789Q of the Dihydroorotase Domain of Human Cad Protein Bound to the Inhibitor Fluoorotate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1901

b:25.5
occ:1.00
 F5 A:FOT1901 0.0 25.5 1.0
C5 A:FOT1901 1.3 24.0 1.0
C6 A:FOT1901 2.4 22.8 1.0
C4 A:FOT1901 2.4 23.3 1.0
HD21 A:ASN1505 2.7 28.4 1.0
O6 A:FOT1901 2.7 23.7 1.0
O41 A:FOT1901 2.8 25.9 1.0
HD22 A:ASN1505 2.9 28.4 1.0
HE1 A:TYR1558 2.9 29.3 1.0
ND2 A:ASN1505 3.0 23.7 1.0
C41 A:FOT1901 3.0 24.6 1.0
HE1 A:HIS1473 3.1 26.4 1.0
CE1 A:HIS1473 3.5 22.0 1.0
O A:HOH2061 3.5 35.9 1.0
N1 A:FOT1901 3.6 22.6 1.0
N3 A:FOT1901 3.6 23.2 1.0
CE1 A:TYR1558 3.7 24.4 1.0
OQ1 A:KCX1556 3.8 20.5 1.0
O A:HOH2070 3.8 20.9 1.0
NE2 A:HIS1473 3.8 22.3 1.0
ZN A:ZN1902 4.0 22.4 1.0
C2 A:FOT1901 4.2 23.1 1.0
OH A:TYR1558 4.2 25.2 1.0
CG A:ASN1505 4.2 24.0 1.0
O42 A:FOT1901 4.2 25.1 1.0
HN3 A:FOT1901 4.3 27.8 1.0
HN1 A:FOT1901 4.3 27.1 1.0
ZN A:ZN1903 4.3 24.2 1.0
O A:HOH2280 4.3 50.5 1.0
CZ A:TYR1558 4.4 24.0 1.0
ND1 A:HIS1473 4.4 21.9 1.0
HD1 A:TYR1558 4.5 27.5 1.0
CX A:KCX1556 4.5 22.8 1.0
CD1 A:TYR1558 4.6 22.9 1.0
OQ2 A:KCX1556 4.7 23.3 1.0
HD1 A:HIS1473 4.7 26.3 1.0
HH12 A:ARG1475 4.8 27.9 1.0
OD1 A:ASN1505 4.8 25.8 1.0
HH A:TYR1558 4.8 30.2 1.0
CD2 A:HIS1473 4.9 22.6 1.0

Reference:

F.Del Cano-Ochoa, B.G.Ng, A.Rubio-Del-Campo, S.Mahajan, M.P.Wilson, M.Vilar, D.Rymen, P.Sanchez-Pintos, J.Kenny, M.Ley Martos, T.Campos, S.B.Wortmann, H.H.Freeze, S.Ramon-Maiques. Beyond Genetics: Deciphering the Impact of Missense Variants in Cad Deficiency. J Inherit Metab Dis 2023.
ISSN: ISSN 1573-2665
PubMed: 37540500
DOI: 10.1002/JIMD.12667
Page generated: Fri Aug 2 21:57:35 2024

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