Fluorine in PDB 6bx5: The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12

The structure of The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12, PDB code: 6bx5 was solved by D.L.Turman, C.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.53 / 3.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.441, 105.441, 183.015, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 24.9

The structure of The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12 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 with Monobody S12 (pdb code 6bx5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12, PDB code: 6bx5:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12


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 with Monobody S12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:82.8 occ:1.00 O B:ASN41 2.8 72.1 1.0 CA A:SER81 3.3 70.9 1.0 N A:SER81 3.3 68.5 1.0 OG B:SER110 3.3 94.0 1.0 C A:PHE80 3.5 65.5 1.0 CB B:SER110 3.5 81.5 1.0 CD2 A:PHE80 3.6 68.2 1.0 O A:PHE80 3.6 65.0 1.0 OG A:SER84 3.6 93.2 1.0 C B:ASN41 3.7 73.1 1.0 CB A:PHE80 3.8 67.8 1.0 N B:GLY45 3.8 72.3 1.0 CB A:SER81 3.9 73.3 1.0 CA B:ASN41 4.1 73.0 1.0 CG A:PHE80 4.1 68.0 1.0 CA B:GLY45 4.1 71.7 1.0 CA A:PHE80 4.3 64.0 1.0 CB A:SER84 4.3 84.8 1.0 CB B:ASN41 4.3 71.2 1.0 CB B:SER78 4.4 67.3 1.0 C B:ALA44 4.5 75.9 1.0 C A:SER81 4.6 67.2 1.0 CE2 A:PHE80 4.6 71.8 1.0 CB B:ALA44 4.7 70.9 1.0 CA B:SER110 4.7 82.8 1.0 CG B:ASN41 4.8 70.3 1.0 O A:SER81 4.8 74.2 1.0 N B:LEU42 4.9 77.5 1.0 OD1 B:ASN41 4.9 66.4 1.0

Fluorine binding site 2 out of 4 in the The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12


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 with Monobody S12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:71.1 occ:1.00 O A:ASN41 2.7 57.8 1.0 CA B:SER81 3.3 60.1 1.0 OG A:SER110 3.4 81.6 1.0 N B:SER81 3.4 58.3 1.0 C B:PHE80 3.5 59.9 1.0 CB A:SER110 3.6 73.5 1.0 O B:PHE80 3.6 57.4 1.0 CD1 B:PHE80 3.6 60.2 1.0 N A:GLY45 3.6 63.3 1.0 C A:ASN41 3.7 55.9 1.0 OG B:SER84 3.8 86.1 1.0 CB B:SER81 3.9 62.6 1.0 CA A:GLY45 4.0 64.6 1.0 CB B:PHE80 4.0 63.8 1.0 CA A:ASN41 4.0 54.6 1.0 CG B:PHE80 4.2 63.4 1.0 CB A:ASN41 4.3 53.6 1.0 CB B:SER84 4.3 74.0 1.0 C A:ALA44 4.4 64.4 1.0 CA B:PHE80 4.4 62.7 1.0 CB A:SER78 4.5 67.3 1.0 CB A:ALA44 4.5 58.5 1.0 CE1 B:PHE80 4.6 63.9 1.0 C B:SER81 4.6 60.8 1.0 CA A:SER110 4.7 74.0 1.0 N A:LEU42 4.8 55.9 1.0 CG A:ASN41 4.8 59.8 1.0 OD1 A:ASN41 4.9 59.5 1.0 O B:SER81 4.9 58.6 1.0 CA A:ALA44 4.9 63.1 1.0

Fluorine binding site 3 out of 4 in the The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:89.3 occ:1.00 OE2 A:GLU86 2.6 60.7 1.0 O A:HOH307 3.0 66.1 1.0 CB A:GLU86 3.1 68.0 1.0 O A:HOH305 3.2 64.2 1.0 NE2 A:HIS106 3.5 70.8 1.0 CD A:GLU86 3.6 71.2 1.0 O A:PHE83 3.7 66.2 1.0 CD1 A:PHE83 3.8 59.2 1.0 CG A:GLU86 3.9 70.2 1.0 CD2 A:HIS106 3.9 70.8 1.0 CA A:PHE83 4.1 62.9 1.0 CB A:SER102 4.2 71.8 1.0 CG2 A:VAL87 4.2 68.8 1.0 OG A:SER102 4.2 72.5 1.0 C A:PHE83 4.3 64.2 1.0 CE1 A:HIS106 4.4 75.0 1.0 CD A:PRO34 4.4 69.0 1.0 CA A:GLU86 4.4 66.0 1.0 N A:VAL87 4.5 62.3 1.0 CE1 A:PHE83 4.5 64.7 1.0 CG A:PHE83 4.6 60.5 1.0 CB A:PHE83 4.6 64.5 1.0 C A:GLU86 4.6 66.0 1.0 CG A:HIS106 4.9 70.6 1.0 OE1 A:GLU86 4.9 68.9 1.0

Fluorine binding site 4 out of 4 in the The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Crystal Structure of Fluoride Channel Fluc EC2 with Monobody S12 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:80.2 occ:1.00 OE1 B:GLU86 2.6 71.8 1.0 O B:HOH302 3.1 60.2 1.0 NE2 B:HIS106 3.2 80.6 1.0 CB B:GLU86 3.4 72.6 1.0 CD2 B:HIS106 3.7 79.5 1.0 CD B:GLU86 3.7 78.2 1.0 CD1 B:PHE83 3.7 71.6 1.0 O B:PHE83 3.8 74.2 1.0 CA B:PHE83 4.0 71.1 1.0 CE1 B:HIS106 4.0 80.2 1.0 CG B:GLU86 4.1 76.2 1.0 C B:PHE83 4.4 68.7 1.0 CG2 B:VAL87 4.4 74.1 1.0 CB B:SER102 4.4 83.7 1.0 CD B:PRO34 4.4 79.4 1.0 CE1 B:PHE83 4.5 66.8 1.0 CD1 B:LEU33 4.5 96.8 1.0 CB B:PHE83 4.5 72.2 1.0 OG B:SER102 4.5 92.0 1.0 CG B:PHE83 4.5 68.6 1.0 CG B:HIS106 4.6 81.0 1.0 CG2 B:THR37 4.7 78.3 1.0 CA B:GLU86 4.7 69.3 1.0 ND1 B:HIS106 4.8 80.9 1.0 N B:VAL87 4.8 72.7 1.0 OE2 B:GLU86 4.9 81.2 1.0 C B:GLU86 5.0 72.2 1.0

D.L.Turman, A.Z.Cheloff, A.D.Corrado, J.T.Nathanson, C.Miller. Molecular Interactions Between A Fluoride Ion Channel and Synthetic Protein Blockers. Biochemistry V. 57 1212 2018.
ISSN: ISSN 1520-4995
PubMed: 29393634
DOI: 10.1021/ACS.BIOCHEM.7B01272