Fluorine in PDB 1w9i: Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx

All present enzymatic activity of Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx:
3.6.4.1;

The structure of Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx, PDB code: 1w9i 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 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.017, 186.506, 54.713, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.7

The structure of Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx (pdb code 1w9i). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx, PDB code: 1w9i:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx within 5.0Å range: probe atom residue distance (Å) B Occ A:F1757 b:11.6 occ:1.00 F1 A:BEF1757 0.0 11.6 1.0 BE A:BEF1757 1.5 12.9 1.0 F2 A:BEF1757 2.4 11.8 1.0 F3 A:BEF1757 2.5 10.9 1.0 O1B A:ADP1756 2.5 9.8 1.0 OG A:SER236 2.7 10.3 1.0 ND2 A:ASN233 3.2 11.1 1.0 CB A:SER236 3.5 10.4 1.0 CA A:SER236 3.5 11.0 1.0 N A:GLY182 3.7 11.2 1.0 O A:HOH2285 3.8 22.0 1.0 N A:SER237 3.8 11.1 1.0 CB A:ASN233 3.9 12.9 1.0 CA A:SER181 3.9 11.6 1.0 O A:HOH2263 4.0 13.9 1.0 PB A:ADP1756 4.0 10.1 1.0 CB A:SER181 4.0 12.0 1.0 CG A:ASN233 4.0 12.8 1.0 C A:SER236 4.2 11.1 1.0 C A:SER181 4.3 11.5 1.0 OG A:SER181 4.3 14.0 1.0 MG A:MG1755 4.3 10.7 1.0 O A:HOH2215 4.3 19.5 1.0 O A:HOH2702 4.5 11.1 1.0 O2B A:ADP1756 4.6 10.2 1.0 N A:SER236 4.6 11.6 1.0 O A:SER237 4.7 11.2 1.0 O3A A:ADP1756 4.7 10.2 1.0 CA A:GLY182 4.7 11.3 1.0 O A:HOH2453 4.8 42.6 1.0 NH2 A:ARG238 4.9 14.3 1.0 CA A:SER237 4.9 11.1 1.0

Fluorine binding site 2 out of 3 in the Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx within 5.0Å range: probe atom residue distance (Å) B Occ A:F1757 b:11.8 occ:1.00 F2 A:BEF1757 0.0 11.8 1.0 BE A:BEF1757 1.5 12.9 1.0 F1 A:BEF1757 2.4 11.6 1.0 F3 A:BEF1757 2.5 10.9 1.0 O A:HOH2285 2.6 22.0 1.0 O1B A:ADP1756 2.7 9.8 1.0 O A:HOH2453 2.9 42.6 1.0 NZ A:LYS185 2.9 9.5 1.0 O A:HOH2456 3.0 12.2 1.0 CA A:SER181 3.6 11.6 1.0 CE A:LYS185 3.6 10.1 1.0 PB A:ADP1756 3.6 10.1 1.0 O A:HOH2215 3.9 19.5 1.0 O A:HOH2451 4.0 9.4 1.0 OG A:SER181 4.0 14.0 1.0 O3B A:ADP1756 4.1 9.7 1.0 MG A:MG1755 4.1 10.7 1.0 CB A:SER181 4.1 12.0 1.0 O2B A:ADP1756 4.1 10.2 1.0 N A:GLY182 4.2 11.2 1.0 N A:SER181 4.3 11.6 1.0 O A:GLU180 4.4 12.3 1.0 C A:SER181 4.4 11.5 1.0 OG A:SER236 4.6 10.3 1.0 C A:GLU180 4.7 12.2 1.0 O A:HOH2294 4.7 22.6 1.0 O A:SER237 4.9 11.2 1.0 N A:SER237 5.0 11.1 1.0

Fluorine binding site 3 out of 3 in the Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Myosin II Dictyostelium Discoideum Motor Domain S456Y Bound with Mgadp-Befx within 5.0Å range: probe atom residue distance (Å) B Occ A:F1757 b:10.9 occ:1.00 F3 A:BEF1757 0.0 10.9 1.0 BE A:BEF1757 1.5 12.9 1.0 MG A:MG1755 2.0 10.7 1.0 F1 A:BEF1757 2.5 11.6 1.0 F2 A:BEF1757 2.5 11.8 1.0 O1B A:ADP1756 2.7 9.8 1.0 N A:SER237 3.0 11.1 1.0 O A:HOH2451 3.0 9.4 1.0 O A:HOH2702 3.0 11.1 1.0 OG A:SER237 3.0 10.7 1.0 O2B A:ADP1756 3.0 10.2 1.0 CB A:SER237 3.2 11.2 1.0 O A:HOH2285 3.3 22.0 1.0 PB A:ADP1756 3.3 10.1 1.0 O A:HOH2453 3.4 42.6 1.0 CA A:SER237 3.6 11.1 1.0 C A:SER236 4.0 11.1 1.0 O A:SER237 4.1 11.2 1.0 CA A:SER236 4.1 11.0 1.0 ND2 A:ASN233 4.1 11.1 1.0 OG1 A:THR186 4.1 11.4 1.0 OG A:SER236 4.2 10.3 1.0 C A:SER237 4.4 11.6 1.0 O3A A:ADP1756 4.5 10.2 1.0 O3B A:ADP1756 4.5 9.7 1.0 O A:HOH2294 4.5 22.6 1.0 NZ A:LYS185 4.6 9.5 1.0 O A:ASN235 4.7 12.6 1.0 O2A A:ADP1756 4.7 11.4 1.0 CB A:SER236 4.7 10.4 1.0 CE A:LYS185 4.7 10.1 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.