Fluorine in PDB 1n0q: 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats

The structure of 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats, PDB code: 1n0q was solved by L.K.Mosavi, D.L.Minor Jr., Z.-Y.Peng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.636, 43.159, 105.574, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 18.7

The binding sites of Fluorine atom in the 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats (pdb code 1n0q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats, PDB code: 1n0q:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats within 5.0Å range: probe atom residue distance (Å) B Occ B:F3133 b:29.2 occ:1.00 F1 B:TFA3133 0.0 29.2 1.0 C2 B:TFA3133 1.3 25.6 1.0 F3 B:TFA3133 2.2 28.5 1.0 F2 B:TFA3133 2.2 27.3 1.0 C1 B:TFA3133 2.3 24.0 1.0 O B:TFA3133 3.4 23.3 1.0 O B:HOH3214 4.0 34.5 1.0 CE1 B:TYR93 4.9 10.2 1.0

Fluorine binding site 2 out of 3 in the 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats within 5.0Å range: probe atom residue distance (Å) B Occ B:F3133 b:27.3 occ:1.00 F2 B:TFA3133 0.0 27.3 1.0 C2 B:TFA3133 1.3 25.6 1.0 F3 B:TFA3133 2.1 28.5 1.0 F1 B:TFA3133 2.2 29.2 1.0 C1 B:TFA3133 2.4 24.0 1.0 O B:TFA3133 2.7 23.3 1.0 O B:HOH3139 3.2 7.5 1.0 CD1 B:TYR93 3.3 8.5 1.0 CE1 B:TYR93 3.6 10.2 1.0 O B:TYR93 4.2 8.7 1.0 O B:HOH3214 4.2 34.5 1.0 CG B:TYR93 4.5 7.7 1.0 CE1 B:HIS73 4.5 8.5 1.0 NE2 B:HIS73 4.7 7.8 1.0 CB B:TYR93 4.9 7.6 1.0 CZ B:TYR93 4.9 8.3 1.0 C B:TYR93 5.0 9.6 1.0

Fluorine binding site 3 out of 3 in the 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of 3ANK: A Designed Ankyrin Repeat Protein with Three Identical Consensus Repeats within 5.0Å range: probe atom residue distance (Å) B Occ B:F3133 b:28.5 occ:1.00 F3 B:TFA3133 0.0 28.5 1.0 C2 B:TFA3133 1.3 25.6 1.0 F2 B:TFA3133 2.1 27.3 1.0 F1 B:TFA3133 2.2 29.2 1.0 C1 B:TFA3133 2.3 24.0 1.0 O B:TFA3133 3.0 23.3 1.0 CE1 B:HIS73 3.3 8.5 1.0 O B:GLY68 3.8 14.1 1.0 NE2 B:HIS73 4.0 7.8 1.0 CE1 B:TYR93 4.1 10.2 1.0 CD1 B:TYR93 4.1 8.5 1.0 ND1 B:HIS73 4.3 9.8 1.0 CE B:LYS64 4.4 22.3 1.0 CG2 B:THR70 4.5 9.6 1.0 O B:HOH3139 4.5 7.5 1.0 O B:TYR93 4.6 8.7 1.0 O B:HOH3214 4.7 34.5 1.0 C B:GLY68 5.0 12.3 1.0

L.K.Mosavi, D.L.Minor Jr., Z.-Y.Peng. Consensus-Derived Structural Determinants of the Ankyrin Repeat Motif. Proc.Natl.Acad.Sci.Usa V. 99 16029 2002.
ISSN: ISSN 0027-8424
PubMed: 12461176
DOI: 10.1073/PNAS.252537899