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Fluorine in PDB 6hg2: Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate

Enzymatic activity of Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate

All present enzymatic activity of Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate:
2.1.3.2; 3.5.2.3; 6.3.5.5;

Protein crystallography data

The structure of Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate, PDB code: 6hg2 was solved by S.Ramon-Maiques, F.Del Cano-Ochoa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.34 / 1.83
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.573, 159.288, 60.829, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 16

Other elements in 6hg2:

The structure of Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate (pdb code 6hg2). 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 Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate, PDB code: 6hg2:

Fluorine binding site 1 out of 1 in 6hg2

Go back to Fluorine Binding Sites List in 6hg2
Fluorine binding site 1 out of 1 in the Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hybrid Dihydroorotase Domain of Human Cad with E. Coli Flexible Loop, Bound to Fluoroorotate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1903

b:49.1
occ:1.00
F5 A:FOT1903 0.0 49.1 1.0
C5 A:FOT1903 1.4 45.4 1.0
C6 A:FOT1903 2.5 44.1 1.0
C4 A:FOT1903 2.5 42.8 1.0
O6 A:FOT1903 2.7 44.5 1.0
O41 A:FOT1903 2.8 42.1 1.0
HD21 A:ASN1505 2.9 41.5 1.0
HE2 A:TYR1558 2.9 51.1 0.6
C41 A:FOT1903 3.1 43.1 1.0
HD22 A:ASN1505 3.1 41.5 1.0
HE1 A:TYR1558 3.1 48.9 0.4
HE1 A:HIS1473 3.2 36.8 1.0
HH A:TYR1558 3.2 53.7 0.6
ND2 A:ASN1505 3.2 34.5 1.0
CE2 A:TYR1558 3.5 42.6 0.6
CE1 A:HIS1473 3.6 30.7 1.0
OQ2 A:KCX1556 3.7 33.5 1.0
OH A:TYR1558 3.7 44.7 0.6
HH A:TYR1558 3.7 53.7 0.4
O A:HOH2078 3.7 35.2 1.0
N1 A:FOT1903 3.8 43.5 1.0
N3 A:FOT1903 3.8 43.2 1.0
CE1 A:TYR1558 3.8 40.7 0.4
CZ A:TYR1558 4.0 42.8 0.6
NE2 A:HIS1473 4.0 29.1 1.0
ZN A:ZN1902 4.0 33.6 0.8
O42 A:FOT1903 4.3 43.2 1.0
C2 A:FOT1903 4.3 43.7 1.0
ND1 A:HIS1473 4.3 31.3 1.0
CG A:ASN1505 4.4 35.0 1.0
OH A:TYR1558 4.4 44.7 0.4
ZN A:ZN1901 4.4 32.4 0.7
HN1 A:FOT1903 4.5 52.2 1.0
CD2 A:TYR1558 4.5 40.0 0.6
HN3 A:FOT1903 4.5 51.9 1.0
CX A:KCX1556 4.5 34.4 1.0
CZ A:TYR1558 4.5 42.8 0.4
HD1 A:HIS1473 4.6 37.5 1.0
HD1 A:TYR1558 4.6 48.8 0.4
HD2 A:TYR1558 4.6 48.0 0.6
CD1 A:TYR1558 4.7 40.6 0.4
OQ1 A:KCX1556 4.8 35.3 1.0
HH12 A:ARG1475 4.9 41.7 1.0
OD1 A:ASN1505 5.0 37.0 1.0
CD2 A:HIS1473 5.0 28.2 1.0

Reference:

F.Del Cano-Ochoa, A.Grande-Garcia, M.Reverte-Lopez, M.D'abramo, S.Ramon-Maiques. Characterization of the Catalytic Flexible Loop in the Dihydroorotase Domain of the Human Multi-Enzymatic Protein Cad. J. Biol. Chem. V. 293 18903 2018.
ISSN: ESSN 1083-351X
PubMed: 30315107
DOI: 10.1074/JBC.RA118.005494
Page generated: Thu Aug 1 21:07:54 2024

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