Fluorine in PDB 2flw: Crystal Structure of MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5)

The structure of Crystal Structure of MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5), PDB code: 2flw was solved by J.Guhaniyogi, V.L.Robinson, A.M.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	197.894, 197.894, 197.894, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 22.8

The structure of Crystal Structure of MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5) (pdb code 2flw). 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 MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5), PDB code: 2flw:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5)


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 MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ A:F146 b:22.8 occ:0.65 F1 A:BEF146 0.0 22.8 0.7 BE A:BEF146 1.5 23.7 0.7 MG A:MG9001 2.2 30.6 1.0 OD2 A:ASP57 2.2 25.5 1.0 F2 A:BEF146 2.4 26.1 0.7 F3 A:BEF146 2.5 22.9 0.7 O A:ASN59 3.0 22.8 1.0 CG A:ASP57 3.1 20.7 1.0 CB A:ASN59 3.3 23.9 0.5 CB A:ASN59 3.3 24.2 0.5 OD1 A:ASP57 3.3 24.2 1.0 N A:ASN59 3.5 24.3 1.0 CA A:ASN59 3.7 23.9 1.0 NZ A:LYS109 3.7 27.7 1.0 C A:ASN59 3.7 23.2 1.0 ND2 A:ASN59 4.1 26.9 0.5 CG A:ASN59 4.1 24.9 0.5 OD1 A:ASN59 4.2 26.3 0.5 CG A:ASN59 4.2 25.9 0.5 OD1 A:ASP13 4.4 24.5 1.0 CE A:LYS109 4.5 28.0 1.0 CB A:ASP57 4.5 18.7 1.0 C A:TRP58 4.7 24.0 1.0 N A:TRP58 4.7 21.0 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5)


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 MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ A:F146 b:26.1 occ:0.65 F2 A:BEF146 0.0 26.1 0.7 BE A:BEF146 1.5 23.7 0.7 F3 A:BEF146 2.4 22.9 0.7 F1 A:BEF146 2.4 22.8 0.7 N A:ASN59 2.9 24.3 1.0 OD2 A:ASP57 3.1 25.5 1.0 OD1 A:ASP57 3.1 24.2 1.0 CG A:ASP57 3.3 20.7 1.0 CB A:TRP58 3.4 24.1 1.0 N A:TRP58 3.5 21.0 1.0 OD1 A:ASN59 3.5 26.3 0.5 CB A:ASN59 3.6 24.2 0.5 CB A:ASN59 3.6 23.9 0.5 CG A:ASN59 3.6 24.9 0.5 CA A:TRP58 3.7 23.2 1.0 C A:TRP58 3.8 24.0 1.0 CA A:ASN59 3.8 23.9 1.0 O A:VAL86 4.1 22.2 1.0 N A:ALA88 4.3 25.8 1.0 CA A:THR87 4.4 24.3 1.0 NZ A:LYS109 4.4 27.7 1.0 MG A:MG9001 4.4 30.6 1.0 ND2 A:ASN59 4.5 23.4 0.5 CE A:LYS109 4.5 28.0 1.0 O A:ASN59 4.5 22.8 1.0 C A:ASP57 4.6 19.4 1.0 CB A:ASP57 4.7 18.7 1.0 CG A:TRP58 4.7 26.0 1.0 C A:ASN59 4.7 23.2 1.0 C A:THR87 4.7 24.3 1.0 CB A:ALA88 4.9 27.6 1.0 CA A:ASP57 4.9 18.4 1.0 O A:TRP58 5.0 24.8 1.0 C A:VAL86 5.0 22.4 1.0 CG2 A:THR87 5.0 25.7 0.5 CG A:ASN59 5.0 25.9 0.5

Fluorine binding site 3 out of 3 in the Crystal Structure of MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5)


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 MG2+ and BEF3- Ound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Hepes (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ A:F146 b:22.9 occ:0.65 F3 A:BEF146 0.0 22.9 0.7 BE A:BEF146 1.5 23.7 0.7 NZ A:LYS109 2.2 27.7 1.0 CE A:LYS109 2.2 28.0 1.0 F2 A:BEF146 2.4 26.1 0.7 F1 A:BEF146 2.5 22.8 0.7 OD1 A:ASP57 2.5 24.2 1.0 CG A:ASP57 3.3 20.7 1.0 OD2 A:ASP57 3.3 25.5 1.0 CD A:LYS109 3.6 23.2 1.0 N A:ALA88 4.1 25.8 1.0 MG A:MG9001 4.1 30.6 1.0 CB A:ALA88 4.2 27.6 1.0 CG A:LYS109 4.4 22.8 1.0 C A:THR87 4.5 24.3 1.0 CA A:ALA88 4.6 27.1 1.0 CB A:ASP57 4.7 18.7 1.0 CA A:THR87 4.8 24.3 1.0 O A:VAL86 4.9 22.2 1.0 N A:ASN59 5.0 24.3 1.0 N A:TRP58 5.0 21.0 1.0

J.Guhaniyogi, V.L.Robinson, A.M.Stock. Crystal Structures of Beryllium Fluoride-Free and Beryllium Fluoride-Bound Chey in Complex with the Conserved C-Terminal Peptide of Chez Reveal Dual Binding Modes Specific to Chey Conformation. J.Mol.Biol. V. 359 624 2006.
ISSN: ISSN 0022-2836
PubMed: 16674976
DOI: 10.1016/J.JMB.2006.03.050