Fluorine in PDB 1pfv: Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine

All present enzymatic activity of Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine:
6.1.1.10;

The structure of Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine, PDB code: 1pfv was solved by T.Crepin, E.Schmitt, Y.Mechulam, P.B.Sampson, M.D.Vaughan, J.F.Honek, S.Blanquet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.573, 45.221, 86.068, 90.00, 107.37, 90.00
R / Rfree (%)	18.6 / 20.3

The structure of Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine (pdb code 1pfv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine, PDB code: 1pfv:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:F553 b:14.3 occ:1.00 FZ1 A:2FM553 0.0 14.3 1.0 CE A:2FM553 1.3 10.6 1.0 FZ2 A:2FM553 2.2 13.3 1.0 SD A:2FM553 2.6 9.9 1.0 CG A:2FM553 3.0 12.4 1.0 O A:ALA256 3.1 7.9 1.0 C A:ALA256 3.1 9.2 1.0 CD1 A:LEU13 3.2 11.4 1.0 CG A:LEU13 3.2 7.4 1.0 CB A:ALA256 3.4 10.8 1.0 N A:PRO257 3.5 9.2 1.0 CB A:LEU13 3.7 8.7 1.0 CA A:PRO257 3.8 8.4 1.0 CA A:ALA256 3.8 9.3 1.0 CZ A:TYR260 4.3 5.7 1.0 CD A:PRO257 4.3 9.5 1.0 OH A:TYR260 4.3 7.0 1.0 N A:LEU13 4.4 8.0 1.0 OD2 A:ASP52 4.4 12.2 1.0 CB A:2FM553 4.4 13.6 1.0 CE2 A:TYR260 4.6 5.6 1.0 CE1 A:TYR260 4.6 6.5 1.0 CB A:PRO257 4.6 9.9 1.0 CD2 A:LEU13 4.6 8.4 1.0 CA A:LEU13 4.7 7.8 1.0 C A:PRO257 4.9 8.7 1.0 CG A:ASP52 4.9 10.7 1.0 CZ3 A:TRP253 4.9 16.6 1.0

Fluorine binding site 2 out of 2 in the Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Methionyl-Trna Synthetase From Escherichia Coli Complexed with Difluoromethionine within 5.0Å range: probe atom residue distance (Å) B Occ A:F553 b:13.3 occ:1.00 FZ2 A:2FM553 0.0 13.3 1.0 CE A:2FM553 1.3 10.6 1.0 FZ1 A:2FM553 2.2 14.3 1.0 SD A:2FM553 2.6 9.9 1.0 CG A:2FM553 3.2 12.4 1.0 CZ3 A:TRP253 3.2 16.6 1.0 N A:PRO257 3.4 9.2 1.0 CD A:PRO257 3.5 9.5 1.0 CA A:PRO257 3.6 8.4 1.0 CB A:PRO257 3.6 9.9 1.0 CB A:ALA256 3.7 10.8 1.0 C A:ALA256 3.8 9.2 1.0 CE1 A:HIS301 3.8 8.8 1.0 CE3 A:TRP253 3.8 14.6 1.0 NE2 A:HIS301 3.9 7.4 1.0 CH2 A:TRP253 4.1 18.0 1.0 CG A:PRO257 4.2 12.2 1.0 OH A:TYR260 4.3 7.0 1.0 O A:ALA256 4.3 7.9 1.0 CA A:ALA256 4.4 9.3 1.0 CE1 A:TYR260 4.4 6.5 1.0 CZ A:TYR260 4.5 5.7 1.0 CB A:2FM553 4.5 13.6 1.0 ND1 A:HIS301 4.9 7.2 1.0 CD2 A:HIS301 4.9 8.1 1.0

T.Crepin, E.Schmitt, Y.Mechulam, P.B.Sampson, M.D.Vaughan, J.F.Honek, S.Blanquet. Use of Analogues of Methionine and Methionyl Adenylate to Sample Conformational Changes During Catalysis in Escherichia Coli Methionyl-Trna Synthetase. J.Mol.Biol. V. 332 59 2003.
ISSN: ISSN 0022-2836
PubMed: 12946347
DOI: 10.1016/S0022-2836(03)00917-3