Fluorine in PDB 1w9k: Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx

All present enzymatic activity of Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx:
3.6.4.1;

The structure of Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx, PDB code: 1w9k was solved by C.A.Morris, P.-D.Coureux, A.L.Wells, A.Houdusse, H.L.Sweeney, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.704, 179.428, 54.153, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.2

The structure of Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx (pdb code 1w9k). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx, PDB code: 1w9k:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx within 5.0Å range: probe atom residue distance (Å) B Occ A:F1757 b:19.8 occ:1.00 F1 A:BEF1757 0.0 19.8 1.0 BE A:BEF1757 1.5 21.6 1.0 O1B A:ADP1756 2.3 17.3 1.0 F3 A:BEF1757 2.4 17.5 1.0 F2 A:BEF1757 2.4 21.2 1.0 OG A:SER181 2.6 23.5 1.0 OG A:SER236 2.7 20.0 1.0 ND2 A:ASN233 3.1 16.6 1.0 CB A:SER236 3.3 19.5 1.0 CA A:SER236 3.4 20.1 1.0 CB A:SER181 3.5 22.9 1.0 N A:GLY182 3.6 19.9 1.0 CA A:SER181 3.6 21.1 1.0 N A:SER237 3.7 19.0 1.0 O A:HOH2157 3.8 43.8 1.0 CB A:ASN233 3.8 19.3 1.0 PB A:ADP1756 3.9 16.2 1.0 CG A:ASN233 4.0 20.2 1.0 C A:SER236 4.0 16.6 1.0 C A:SER181 4.1 19.6 1.0 MG A:MG1755 4.3 20.8 1.0 O A:HOH2131 4.3 24.3 1.0 N A:SER236 4.5 21.3 1.0 O A:SER237 4.5 20.1 1.0 O A:HOH2426 4.6 20.0 1.0 O2B A:ADP1756 4.6 17.1 1.0 O3A A:ADP1756 4.6 17.7 1.0 CA A:GLY182 4.7 20.1 1.0 O A:HOH2254 4.7 53.8 1.0 CA A:SER237 4.8 20.5 1.0 NH2 A:ARG238 4.9 24.4 1.0 OE1 A:GLU456 4.9 36.2 1.0 N A:SER181 4.9 18.1 1.0 NZ A:LYS185 5.0 17.0 1.0 O3B A:ADP1756 5.0 15.5 1.0

Fluorine binding site 2 out of 3 in the Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx within 5.0Å range: probe atom residue distance (Å) B Occ A:F1757 b:21.2 occ:1.00 F2 A:BEF1757 0.0 21.2 1.0 BE A:BEF1757 1.5 21.6 1.0 MG A:MG1755 2.0 20.8 1.0 F3 A:BEF1757 2.3 17.5 1.0 O1B A:ADP1756 2.4 17.3 1.0 F1 A:BEF1757 2.4 19.8 1.0 N A:SER237 2.9 19.0 1.0 O A:HOH2252 3.0 16.7 1.0 O2B A:ADP1756 3.0 17.1 1.0 OG A:SER237 3.1 19.0 1.0 O A:HOH2426 3.1 20.0 1.0 CB A:SER237 3.2 20.2 1.0 PB A:ADP1756 3.2 16.2 1.0 O A:HOH2157 3.4 43.8 1.0 CA A:SER237 3.6 20.5 1.0 C A:SER236 3.9 16.6 1.0 O A:SER237 3.9 20.1 1.0 CA A:SER236 4.0 20.1 1.0 ND2 A:ASN233 4.0 16.6 1.0 OG A:SER236 4.1 20.0 1.0 OG1 A:THR186 4.1 16.8 1.0 C A:SER237 4.3 18.9 1.0 O3A A:ADP1756 4.3 17.7 1.0 O3B A:ADP1756 4.4 15.5 1.0 NZ A:LYS185 4.4 17.0 1.0 CE A:LYS185 4.6 19.0 1.0 CB A:SER236 4.7 19.5 1.0 O2A A:ADP1756 4.7 18.2 1.0 O A:ASN235 4.7 22.6 1.0 O A:HOH2161 4.7 44.9 1.0 OG A:SER181 4.9 23.5 1.0

Fluorine binding site 3 out of 3 in the Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Dictyostelium Discoideum Myosin II Motor Domain S456E with Bound Mgadp-Befx within 5.0Å range: probe atom residue distance (Å) B Occ A:F1757 b:17.5 occ:1.00 F3 A:BEF1757 0.0 17.5 1.0 BE A:BEF1757 1.5 21.6 1.0 F2 A:BEF1757 2.3 21.2 1.0 O1B A:ADP1756 2.4 17.3 1.0 F1 A:BEF1757 2.4 19.8 1.0 O A:HOH2157 2.6 43.8 1.0 NZ A:LYS185 2.9 17.0 1.0 OE1 A:GLU456 2.9 36.2 1.0 CA A:SER181 3.3 21.1 1.0 PB A:ADP1756 3.4 16.2 1.0 CE A:LYS185 3.6 19.0 1.0 CB A:SER181 3.7 22.9 1.0 OG A:SER181 3.7 23.5 1.0 CD A:GLU456 3.8 40.0 1.0 O A:HOH2252 3.9 16.7 1.0 MG A:MG1755 4.0 20.8 1.0 O A:HOH2254 4.0 53.8 1.0 O3B A:ADP1756 4.0 15.5 1.0 N A:SER181 4.0 18.1 1.0 N A:GLY182 4.1 19.9 1.0 O2B A:ADP1756 4.1 17.1 1.0 O A:GLU180 4.2 19.8 1.0 C A:SER181 4.3 19.6 1.0 CG A:GLU456 4.3 36.0 1.0 C A:GLU180 4.4 19.7 1.0 OG A:SER236 4.5 20.0 1.0 O A:HOH2161 4.6 44.9 1.0 O A:SER237 4.7 20.1 1.0 N A:SER237 4.7 19.0 1.0 OE2 A:GLU456 4.8 40.6 1.0 O3A A:ADP1756 4.9 17.7 1.0 ND2 A:ASN233 5.0 16.6 1.0 CB A:SER237 5.0 20.2 1.0

C.A.Morris, P.-D.Coureux, A.L.Wells, A.Houdusse, H.L.Sweeney. Structure-Function Analysis of Myosin II Backdoor Mutants To Be Published.