Fluorine in PDB 2fmh: Crystal Structure of MG2+ and BEF3- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4)

The structure of Crystal Structure of MG2+ and BEF3- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4), PDB code: 2fmh 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 (°)	197.802, 197.802, 197.802, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 24.6

The structure of Crystal Structure of MG2+ and BEF3- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of MG2+ and BEF3- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4) (pdb code 2fmh). 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- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4), PDB code: 2fmh:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of MG2+ and BEF3- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4)


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- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F146 b:37.0 occ:1.00 F1 A:BEF146 0.0 37.0 1.0 BE A:BEF146 1.5 35.2 1.0 MG A:MG9001 2.2 30.4 1.0 F2 A:BEF146 2.5 35.1 1.0 F3 A:BEF146 2.5 32.5 1.0 OD1 A:ASP57 2.6 23.7 1.0 OD2 A:ASP57 2.6 28.2 1.0 O A:HOH9032 2.9 37.4 1.0 O A:HOH9033 2.9 35.2 1.0 CG A:ASP57 2.9 23.6 1.0 O A:ASN59 3.0 26.0 1.0 CB A:ASN59 3.4 27.6 0.5 CB A:ASN59 3.4 27.3 0.5 N A:ASN59 3.5 27.1 1.0 CA A:ASN59 3.7 27.2 1.0 C A:ASN59 3.7 26.5 1.0 NZ A:LYS109 4.0 28.2 1.0 OD1 A:ASP13 4.2 29.1 1.0 ND2 A:ASN59 4.2 31.3 0.5 CG A:ASN59 4.3 29.1 0.5 CG A:ASN59 4.3 27.8 0.5 ND2 A:ASN59 4.4 28.5 0.5 CB A:ASP57 4.4 20.9 1.0 N A:TRP58 4.6 24.5 1.0 C A:TRP58 4.6 27.8 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of MG2+ and BEF3- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4)


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- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F146 b:35.1 occ:1.00 F2 A:BEF146 0.0 35.1 1.0 BE A:BEF146 1.5 35.2 1.0 F1 A:BEF146 2.5 37.0 1.0 F3 A:BEF146 2.5 32.5 1.0 OD1 A:ASP57 2.5 23.7 1.0 OG1 A:THR87 2.6 27.6 0.5 N A:ASN59 2.9 27.1 1.0 N A:TRP58 3.2 24.5 1.0 CB A:TRP58 3.4 29.3 1.0 CG A:ASP57 3.4 23.6 1.0 CA A:TRP58 3.6 27.4 1.0 CB A:THR87 3.6 28.1 0.5 CB A:ASN59 3.7 27.6 0.5 C A:TRP58 3.7 27.8 1.0 CB A:ASN59 3.7 27.3 0.5 N A:ALA88 3.8 31.1 0.5 CA A:ASN59 3.8 27.2 1.0 ND2 A:ASN59 3.8 28.5 0.5 CG A:ASN59 3.9 27.8 0.5 OD2 A:ASP57 3.9 28.2 1.0 O A:VAL86 3.9 18.5 0.5 CA A:THR87 4.0 28.2 0.5 CA A:THR87 4.3 21.3 0.5 C A:ASP57 4.3 22.5 1.0 MG A:MG9001 4.4 30.4 1.0 N A:ALA88 4.4 23.4 0.5 C A:THR87 4.4 29.2 0.5 O A:ASN59 4.5 26.0 1.0 OD1 A:ASN59 4.6 28.9 0.5 CB A:ALA88 4.6 32.9 0.5 CB A:ASP57 4.6 20.9 1.0 C A:ASN59 4.6 26.5 1.0 CA A:ASP57 4.6 21.8 1.0 CG A:TRP58 4.6 32.3 1.0 C A:THR87 4.7 21.9 0.5 NZ A:LYS109 4.7 28.2 1.0 CA A:ALA88 4.8 33.0 0.5 C A:VAL86 4.8 19.1 0.5 O A:VAL86 4.9 25.4 0.5 O A:TRP58 4.9 29.2 1.0 O A:HOH9032 5.0 37.4 1.0 CG2 A:THR87 5.0 28.2 0.5

Fluorine binding site 3 out of 3 in the Crystal Structure of MG2+ and BEF3- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4)


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- Bound Chey in Complex with Chez 200-214 Solved From A F432 Crystal Grown in Tris (pH 8.4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F146 b:32.5 occ:1.00 F3 A:BEF146 0.0 32.5 1.0 BE A:BEF146 1.5 35.2 1.0 F2 A:BEF146 2.5 35.1 1.0 F1 A:BEF146 2.5 37.0 1.0 NZ A:LYS109 2.5 28.2 1.0 OD1 A:ASP57 2.5 23.7 1.0 N A:ALA88 3.3 31.1 0.5 CE A:LYS109 3.3 25.6 1.0 CB A:ALA88 3.5 32.9 0.5 CD A:LYS109 3.5 26.9 1.0 CG A:ASP57 3.6 23.6 1.0 O A:HOH9032 3.6 37.4 1.0 CA A:ALA88 3.9 33.0 0.5 CA A:THR87 3.9 28.2 0.5 OG1 A:THR87 4.0 27.6 0.5 C A:THR87 4.0 29.2 0.5 OD2 A:ASP57 4.0 28.2 1.0 MG A:MG9001 4.2 30.4 1.0 N A:ALA88 4.3 23.4 0.5 CB A:ALA88 4.3 25.4 0.5 C A:THR87 4.5 21.9 0.5 CB A:THR87 4.5 28.1 0.5 CA A:ALA88 4.6 25.4 0.5 O A:VAL86 4.7 25.4 0.5 CG A:LYS109 4.7 26.7 1.0 CA A:THR87 4.8 21.3 0.5 O A:VAL86 4.8 18.5 0.5 CB A:ASP57 4.8 20.9 1.0 O A:HOH9033 4.8 35.2 1.0 N A:TRP58 4.9 24.5 1.0 OD2 A:ASP12 4.9 26.1 1.0 O A:THR87 5.0 21.3 0.5

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