Fluorine in PDB 1lvk: X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain

The structure of X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain, PDB code: 1lvk was solved by C.B.Bauer, P.A.Kuhlman, C.R.Bagshaw, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	103.900, 179.900, 53.900, 90.00, 90.00, 90.00
R / Rfree (%)	20 / n/a

The structure of X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain (pdb code 1lvk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain, PDB code: 1lvk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:17.9 occ:1.00 F1 A:BEF1000 0.0 17.9 1.0 BE A:BEF1000 1.5 13.3 1.0 F3 A:BEF1000 2.5 14.5 1.0 O3B A:MNT999 2.5 17.0 1.0 F2 A:BEF1000 2.6 19.5 1.0 NZ A:LYS185 2.9 17.3 1.0 CA A:SER181 3.1 10.5 1.0 CE A:LYS185 3.5 18.2 1.0 PB A:MNT999 3.6 14.6 1.0 CB A:SER181 3.7 19.7 1.0 OG A:SER181 3.8 20.3 1.0 N A:SER181 3.9 13.2 1.0 O1B A:MNT999 3.9 13.4 1.0 O A:HOH996 3.9 16.3 1.0 O2B A:MNT999 4.0 15.3 1.0 N A:GLY182 4.0 17.8 1.0 MG A:MG998 4.0 16.9 1.0 C A:SER181 4.1 16.1 1.0 O A:GLU180 4.2 16.6 1.0 C A:GLU180 4.3 12.7 1.0 OG A:SER236 4.7 20.9 1.0 O A:SER237 4.7 17.8 1.0 N A:SER237 4.9 19.1 1.0 CB A:SER237 4.9 16.9 1.0 ND2 A:ASN233 5.0 17.1 1.0 O A:GLY179 5.0 14.5 1.0 O3A A:MNT999 5.0 16.0 1.0 CD A:LYS185 5.0 8.9 1.0

Fluorine binding site 2 out of 3 in the X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:19.5 occ:1.00 F2 A:BEF1000 0.0 19.5 1.0 BE A:BEF1000 1.6 13.3 1.0 F3 A:BEF1000 2.5 14.5 1.0 F1 A:BEF1000 2.6 17.9 1.0 O3B A:MNT999 2.6 17.0 1.0 OG A:SER236 2.6 20.9 1.0 OG A:SER181 2.7 20.3 1.0 ND2 A:ASN233 3.0 17.1 1.0 CA A:SER236 3.3 21.9 1.0 CB A:SER236 3.4 22.9 1.0 CB A:SER181 3.5 19.7 1.0 CA A:SER181 3.6 10.5 1.0 N A:GLY182 3.6 17.8 1.0 N A:SER237 3.7 19.1 1.0 CB A:ASN233 3.8 14.0 1.0 CG A:ASN233 3.9 20.0 1.0 C A:SER236 4.0 12.8 1.0 C A:SER181 4.1 16.1 1.0 PB A:MNT999 4.1 14.6 1.0 MG A:MG998 4.3 16.9 1.0 N A:SER236 4.5 16.1 1.0 O A:HOH997 4.5 16.9 1.0 O2B A:MNT999 4.5 15.3 1.0 O A:SER237 4.5 17.8 1.0 CA A:GLY182 4.7 12.1 1.0 O3A A:MNT999 4.7 16.0 1.0 NH2 A:ARG238 4.8 24.9 1.0 CA A:SER237 4.9 14.2 1.0 N A:SER181 4.9 13.2 1.0 CB A:SER237 4.9 16.9 1.0 O1B A:MNT999 5.0 13.4 1.0

Fluorine binding site 3 out of 3 in the X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of X-Ray Crystal Structure of the Mg (Dot) 2'(3')-O-(N- Methylanthraniloyl) Nucleotide Bound to Dictyostelium Discoideum Myosin Motor Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:14.5 occ:1.00 F3 A:BEF1000 0.0 14.5 1.0 BE A:BEF1000 1.5 13.3 1.0 MG A:MG998 2.0 16.9 1.0 F2 A:BEF1000 2.5 19.5 1.0 F1 A:BEF1000 2.5 17.9 1.0 O3B A:MNT999 2.6 17.0 1.0 O2B A:MNT999 2.9 15.3 1.0 OG A:SER237 2.9 16.5 1.0 N A:SER237 2.9 19.1 1.0 O A:HOH996 2.9 16.3 1.0 O A:HOH997 3.0 16.9 1.0 CB A:SER237 3.0 16.9 1.0 PB A:MNT999 3.3 14.6 1.0 CA A:SER237 3.6 14.2 1.0 O A:SER237 3.9 17.8 1.0 C A:SER236 3.9 12.8 1.0 ND2 A:ASN233 4.0 17.1 1.0 OG1 A:THR186 4.0 27.3 1.0 CA A:SER236 4.0 21.9 1.0 OG A:SER236 4.2 20.9 1.0 C A:SER237 4.3 8.8 1.0 O1B A:MNT999 4.4 13.4 1.0 O3A A:MNT999 4.4 16.0 1.0 NZ A:LYS185 4.6 17.3 1.0 O2A A:MNT999 4.7 13.1 1.0 O A:ASN235 4.7 20.9 1.0 CE A:LYS185 4.8 18.2 1.0 CB A:SER236 4.8 22.9 1.0

C.B.Bauer, P.A.Kuhlman, C.R.Bagshaw, I.Rayment. X-Ray Crystal Structure and Solution Fluorescence Characterization of Mg.2'(3')-O-(N-Methylanthraniloyl) Nucleotides Bound to the Dictyostelium Discoideum Myosin Motor Domain. J.Mol.Biol. V. 274 394 1997.
ISSN: ISSN 0022-2836
PubMed: 9405148
DOI: 10.1006/JMBI.1997.1325