Fluorine in PDB 5kbn: The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant

The structure of The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant, PDB code: 5kbn was solved by N.B.Last, L.Kolmakova-Partensky, T.Shane, C.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.89 / 2.48
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	87.655, 87.655, 143.625, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 23.9

The structure of The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Fluorine atom in the The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant (pdb code 5kbn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant, PDB code: 5kbn:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F205 b:62.8 occ:1.00 OE1 A:GLU86 2.6 58.5 1.0 O A:HOH301 2.8 76.4 1.0 CB A:GLU86 3.1 56.4 1.0 O A:PHE83 3.2 58.1 1.0 O A:HOH303 3.4 63.0 1.0 CD1 A:PHE83 3.5 57.6 1.0 CD A:GLU86 3.6 58.1 1.0 NE2 A:HIS106 3.7 55.2 1.0 CG2 A:VAL87 3.8 55.1 1.0 CA A:PHE83 3.8 57.7 1.0 C A:PHE83 3.9 57.5 1.0 CD2 A:HIS106 3.9 56.2 1.0 CG A:GLU86 3.9 57.8 1.0 CB A:SER102 4.0 60.8 1.0 N A:VAL87 4.1 54.4 1.0 CE1 A:PHE83 4.2 58.2 1.0 CG A:PHE83 4.3 56.2 1.0 OG A:SER102 4.3 62.4 1.0 CA A:GLU86 4.4 56.0 1.0 CB A:PHE83 4.5 57.0 1.0 C A:GLU86 4.5 55.7 1.0 CE1 A:HIS106 4.5 54.4 1.0 OE2 A:GLU86 4.7 58.9 1.0 O A:THR82 4.8 59.2 1.0 CD A:PRO34 4.8 61.9 1.0 CD1 A:LEU33 4.8 65.5 1.0 CG A:HIS106 4.8 57.3 1.0 CB A:VAL87 4.9 54.6 1.0 CA A:VAL87 4.9 54.5 1.0 N A:PHE83 5.0 57.6 1.0 N A:GLU86 5.0 56.6 1.0

Fluorine binding site 2 out of 2 in the The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Crystal Structure of Fluoride Channel Fluc EC2 F80I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:64.8 occ:1.00 OE1 B:GLU86 2.6 58.5 1.0 O B:HOH304 2.8 65.0 1.0 O B:PHE83 3.1 55.9 1.0 CB B:GLU86 3.3 60.0 1.0 CD1 B:PHE83 3.4 55.6 1.0 O B:HOH303 3.5 63.1 1.0 CD B:GLU86 3.7 60.3 1.0 NE2 B:HIS106 3.7 60.0 1.0 CG2 B:VAL87 3.7 56.5 1.0 CA B:PHE83 3.7 56.1 1.0 C B:PHE83 3.8 56.3 1.0 CD2 B:HIS106 3.9 59.0 1.0 CB B:SER102 4.0 65.1 1.0 CE1 B:PHE83 4.0 57.0 1.0 CG B:GLU86 4.1 61.1 1.0 N B:VAL87 4.1 57.0 1.0 CG B:PHE83 4.2 55.0 1.0 CB B:PHE83 4.3 55.2 1.0 OG B:SER102 4.4 67.2 1.0 CA B:GLU86 4.5 59.6 1.0 CE1 B:HIS106 4.5 58.9 1.0 C B:GLU86 4.5 58.1 1.0 O B:THR82 4.8 58.0 1.0 OE2 B:GLU86 4.8 60.0 1.0 CG B:HIS106 4.8 58.9 1.0 CB B:VAL87 4.8 56.3 1.0 CA B:VAL87 4.9 56.7 1.0 CD1 B:LEU33 4.9 65.0 1.0 N B:PHE83 4.9 57.0 1.0 CD B:PRO34 4.9 61.9 1.0

N.B.Last, L.Kolmakova-Partensky, T.Shane, C.Miller. Mechanistic Signs of Double-Barreled Structure in A Fluoride Ion Channel. Elife V. 5 2016.
ISSN: ESSN 2050-084X
PubMed: 27449280
DOI: 10.7554/ELIFE.18767