Fluorine in PDB 4hl4: Crystal Structure of the Human TBC1D20 Rabgap Domain

The structure of Crystal Structure of the Human TBC1D20 Rabgap Domain, PDB code: 4hl4 was solved by E.M.Gazdag, K.Gavriljuk, A.Itzen, C.Koetting, K.Gerwert, R.S.Goody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.27 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.550, 73.550, 113.000, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 23.5

The binding sites of Fluorine atom in the Crystal Structure of the Human TBC1D20 Rabgap Domain (pdb code 4hl4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Human TBC1D20 Rabgap Domain, PDB code: 4hl4:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Human TBC1D20 Rabgap Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Human TBC1D20 Rabgap Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:71.5 occ:1.00 F1 A:BEF401 0.0 71.5 1.0 BE A:BEF401 1.8 74.0 1.0 NH2 A:ARG105 2.4 0.2 1.0 F2 A:BEF401 2.8 82.5 1.0 F3 A:BEF401 3.1 94.2 1.0 CZ A:ARG105 3.1 98.5 1.0 NE A:ARG105 3.8 96.5 1.0 NH1 A:ARG105 3.8 96.5 1.0 O A:HOH520 5.0 72.9 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Human TBC1D20 Rabgap Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Human TBC1D20 Rabgap Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:82.5 occ:1.00 F2 A:BEF401 0.0 82.5 1.0 BE A:BEF401 2.1 74.0 1.0 O A:HOH520 2.4 72.9 1.0 F3 A:BEF401 2.6 94.2 1.0 NH2 A:ARG105 2.6 0.2 1.0 F1 A:BEF401 2.8 71.5 1.0 CZ A:ARG105 3.9 98.5 1.0 NE A:ARG105 4.4 96.5 1.0 NH1 A:ARG105 4.9 96.5 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Human TBC1D20 Rabgap Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Human TBC1D20 Rabgap Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:94.2 occ:1.00 F3 A:BEF401 0.0 94.2 1.0 BE A:BEF401 1.4 74.0 1.0 F2 A:BEF401 2.6 82.5 1.0 O A:HOH520 3.1 72.9 1.0 F1 A:BEF401 3.1 71.5 1.0 NH2 A:ARG105 3.2 0.2 1.0 CZ A:ARG105 4.3 98.5 1.0 NH1 A:ARG105 4.7 96.5 1.0

K.Gavriljuk, E.M.Gazdag, A.Itzen, C.Kotting, R.S.Goody, K.Gerwert. Catalytic Mechanism of A Mammalian Rab-Rabgap Complex in Atomic Detail. Proc.Natl.Acad.Sci.Usa V. 109 21348 2012.
ISSN: ISSN 0027-8424
PubMed: 23236136
DOI: 10.1073/PNAS.1214431110