Fluorine in PDB 1mmd: Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3

All present enzymatic activity of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3:
3.6.1.32;

The structure of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3, PDB code: 1mmd was solved by A.J.Fisher, H.M.Holden, I.Rayment, 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	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.300, 182.600, 54.700, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / n/a

The structure of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3 (pdb code 1mmd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3, PDB code: 1mmd:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:11.7 occ:1.00 F1 A:BEF1000 0.0 11.7 1.0 BE A:BEF1000 1.6 9.1 1.0 F3 A:BEF1000 2.5 13.8 1.0 O3B A:ADP999 2.5 8.9 1.0 F2 A:BEF1000 2.6 19.1 1.0 O A:HOH1181 2.7 53.5 1.0 NZ A:LYS185 2.8 20.4 1.0 CA A:SER181 3.2 13.6 1.0 CE A:LYS185 3.4 10.1 1.0 PB A:ADP999 3.6 10.8 1.0 CB A:SER181 3.8 7.6 1.0 OG A:SER181 3.8 18.1 1.0 O A:HOH1002 3.9 11.2 1.0 N A:SER181 3.9 12.8 1.0 O1B A:ADP999 4.0 10.4 1.0 O2B A:ADP999 4.0 13.8 1.0 N A:GLY182 4.0 19.8 1.0 MG A:MG998 4.1 15.3 1.0 C A:SER181 4.2 23.7 1.0 O A:GLU180 4.3 11.4 1.0 C A:GLU180 4.4 4.7 1.0 OG A:SER236 4.7 14.0 1.0 CB A:SER456 4.7 23.9 1.0 O A:SER237 4.8 12.1 1.0 N A:SER237 4.9 16.7 1.0 CB A:SER237 4.9 13.8 1.0 CD A:LYS185 4.9 13.2 1.0

Fluorine binding site 2 out of 3 in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:19.1 occ:1.00 F2 A:BEF1000 0.0 19.1 1.0 BE A:BEF1000 1.5 9.1 1.0 F3 A:BEF1000 2.5 13.8 1.0 O3B A:ADP999 2.5 8.9 1.0 OG A:SER181 2.5 18.1 1.0 F1 A:BEF1000 2.6 11.7 1.0 OG A:SER236 2.9 14.0 1.0 ND2 A:ASN233 3.1 13.5 1.0 N A:GLY182 3.5 19.8 1.0 CB A:SER236 3.5 10.8 1.0 CA A:SER236 3.5 17.6 1.0 CB A:SER181 3.5 7.6 1.0 CA A:SER181 3.5 13.6 1.0 O A:HOH1181 3.7 53.5 1.0 N A:SER237 3.8 16.7 1.0 CB A:ASN233 3.8 6.7 1.0 C A:SER181 3.9 23.7 1.0 CG A:ASN233 4.0 9.3 1.0 PB A:ADP999 4.0 10.8 1.0 C A:SER236 4.2 17.1 1.0 O A:HOH1046 4.4 21.2 1.0 O2B A:ADP999 4.5 13.8 1.0 MG A:MG998 4.5 15.3 1.0 N A:SER236 4.5 16.5 1.0 O A:HOH1001 4.5 11.9 1.0 CA A:GLY182 4.5 10.5 1.0 O3A A:ADP999 4.8 20.4 1.0 O A:SER237 4.8 12.1 1.0 N A:SER181 4.9 12.8 1.0 NH2 A:ARG238 4.9 16.1 1.0 O A:ASN235 4.9 17.0 1.0 O1B A:ADP999 5.0 10.4 1.0

Fluorine binding site 3 out of 3 in the Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Truncated Head of Myosin From Dictyostelium Discoideum Complexed with Mgadp-BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:13.8 occ:1.00 F3 A:BEF1000 0.0 13.8 1.0 BE A:BEF1000 1.5 9.1 1.0 MG A:MG998 2.1 15.3 1.0 F1 A:BEF1000 2.5 11.7 1.0 O3B A:ADP999 2.5 8.9 1.0 F2 A:BEF1000 2.5 19.1 1.0 O2B A:ADP999 2.8 13.8 1.0 O A:HOH1001 2.8 11.9 1.0 N A:SER237 2.9 16.7 1.0 O A:HOH1002 3.0 11.2 1.0 CB A:SER237 3.1 13.8 1.0 PB A:ADP999 3.3 10.8 1.0 OG A:SER237 3.3 16.3 1.0 CA A:SER237 3.6 7.2 1.0 O A:HOH1181 3.9 53.5 1.0 C A:SER236 3.9 17.1 1.0 ND2 A:ASN233 4.0 13.5 1.0 CA A:SER236 4.0 17.6 1.0 O A:SER237 4.0 12.1 1.0 OG1 A:THR186 4.2 14.1 1.0 OG A:SER236 4.2 14.0 1.0 O1B A:ADP999 4.3 10.4 1.0 C A:SER237 4.4 1.1 1.0 O3A A:ADP999 4.4 20.4 1.0 O A:ASN235 4.5 17.0 1.0 NZ A:LYS185 4.6 20.4 1.0 CE A:LYS185 4.6 10.1 1.0 O2A A:ADP999 4.6 10.8 1.0 CB A:SER236 4.7 10.8 1.0 N A:GLY182 4.9 19.8 1.0 OG A:SER181 5.0 18.1 1.0

A.J.Fisher, C.A.Smith, J.B.Thoden, R.Smith, K.Sutoh, H.M.Holden, I.Rayment. X-Ray Structures of the Myosin Motor Domain of Dictyostelium Discoideum Complexed with Mgadp.Befx and Mgadp.ALF4-. Biochemistry V. 34 8960 1995.
ISSN: ISSN 0006-2960
PubMed: 7619795
DOI: 10.1021/BI00028A004