Fluorine in PDB 4kk8: Structure of the E148Q Mutant of Clc-EC1 Deltanc Construct in 100MM Fluoride

The structure of Structure of the E148Q Mutant of Clc-EC1 Deltanc Construct in 100MM Fluoride, PDB code: 4kk8 was solved by H.-H.Lim, C.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.95 / 2.86
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.226, 98.903, 170.022, 90.00, 131.77, 90.00
R / Rfree (%)	21 / 25.6

The binding sites of Fluorine atom in the Structure of the E148Q Mutant of Clc-EC1 Deltanc Construct in 100MM Fluoride (pdb code 4kk8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of the E148Q Mutant of Clc-EC1 Deltanc Construct in 100MM Fluoride, PDB code: 4kk8:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of the E148Q Mutant of Clc-EC1 Deltanc Construct in 100MM Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the E148Q Mutant of Clc-EC1 Deltanc Construct in 100MM Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:60.4 occ:1.00 OH A:TYR445 2.5 59.9 1.0 N A:ILE356 2.6 63.3 1.0 NE2 A:GLN148 2.6 58.3 1.0 OG A:SER107 2.7 63.4 1.0 CB A:SER107 3.2 60.6 1.0 CA A:GLY355 3.2 60.2 1.0 C A:GLY355 3.3 62.5 1.0 N A:PHE357 3.4 62.2 1.0 CZ A:TYR445 3.5 56.1 1.0 CG2 A:ILE356 3.5 55.7 1.0 CE2 A:TYR445 3.5 56.0 1.0 CA A:ILE356 3.6 59.5 1.0 CD A:GLN148 3.7 59.9 1.0 CB A:ILE356 3.9 61.6 1.0 C A:ILE356 3.9 59.8 1.0 OE1 A:GLN148 4.1 59.4 1.0 CD1 A:ILE109 4.2 60.5 1.0 CA A:SER107 4.3 55.5 1.0 CB A:PHE357 4.4 62.3 1.0 CA A:PHE357 4.4 62.2 1.0 CE1 A:PHE348 4.5 58.3 1.0 O A:GLY355 4.5 62.8 1.0 N A:GLY355 4.6 60.5 1.0 CE1 A:TYR445 4.7 57.0 1.0 CA A:GLY149 4.8 57.8 1.0 CD2 A:TYR445 4.9 58.5 1.0 CD1 A:PHE357 4.9 57.1 1.0 CZ A:PHE348 4.9 58.3 1.0

Fluorine binding site 2 out of 2 in the Structure of the E148Q Mutant of Clc-EC1 Deltanc Construct in 100MM Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the E148Q Mutant of Clc-EC1 Deltanc Construct in 100MM Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:56.4 occ:1.00 OH B:TYR445 2.4 57.6 1.0 N B:ILE356 2.4 59.4 1.0 OG B:SER107 3.0 62.1 1.0 CG2 B:ILE356 3.0 50.7 1.0 NE2 B:GLN148 3.0 61.5 1.0 CZ B:TYR445 3.2 61.9 1.0 CE2 B:TYR445 3.2 58.9 1.0 CA B:ILE356 3.3 63.0 1.0 C B:GLY355 3.4 56.4 1.0 CB B:SER107 3.4 57.8 1.0 CB B:ILE356 3.4 51.3 1.0 CA B:GLY355 3.4 53.7 1.0 N B:PHE357 3.5 58.3 1.0 C B:ILE356 3.9 62.6 1.0 CD B:GLN148 4.2 57.2 1.0 CE1 B:PHE348 4.2 54.1 1.0 CA B:SER107 4.2 57.0 1.0 CZ B:PHE348 4.4 48.3 1.0 CE1 B:TYR445 4.5 60.6 1.0 O B:GLY355 4.5 55.4 1.0 CD2 B:TYR445 4.5 55.4 1.0 OE1 B:GLN148 4.6 57.5 1.0 CA B:PHE357 4.7 59.7 1.0 N B:GLY355 4.8 59.8 1.0 CB B:PHE357 4.9 62.3 1.0 CD1 B:ILE109 4.9 59.6 1.0 O B:GLY354 5.0 59.4 1.0 CG1 B:ILE356 5.0 49.9 1.0

H.H.Lim, R.B.Stockbridge, C.Miller. Fluoride-Dependent Interruption of the Transport Cycle of A Clc Cl(-)/H(+) Antiporter. Nat.Chem.Biol. V. 9 721 2013.
ISSN: ISSN 1552-4450
PubMed: 24036509
DOI: 10.1038/NCHEMBIO.1336