Vanadium in PDB 1dfl: Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State

The structure of Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State, PDB code: 1dfl was solved by A.Houdusse, A.G.Szent-Gyorgyi, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 4.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.032, 243.475, 124.650, 90.00, 100.20, 90.00
R / Rfree (%)	39.4 / 40

The structure of Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Calcium	(Ca)	2 atoms

The binding sites of Vanadium atom in the Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State (pdb code 1dfl). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 2 binding sites of Vanadium where determined in the Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State, PDB code: 1dfl:
Jump to Vanadium binding site number: 1; 2;

Vanadium binding site 1 out of 2 in the Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State within 5.0Å range: probe atom residue distance (Å) B Occ A:V1998 b:30.0 occ:1.00 V A:VO41998 0.0 30.0 1.0 O2 A:VO41998 1.6 30.0 1.0 O1 A:VO41998 1.7 30.0 1.0 O3 A:VO41998 1.7 30.0 1.0 O3B A:ADP1999 2.1 30.0 1.0 O4 A:VO41998 2.3 30.0 1.0 PB A:ADP1999 3.2 30.0 1.0 MG A:MG1997 3.4 30.0 1.0 O1B A:ADP1999 3.5 30.0 1.0 O2B A:ADP1999 4.1 30.0 1.0 N A:GLY463 4.2 30.0 1.0 N A:SER241 4.2 30.0 1.0 N A:GLY179 4.4 30.0 1.0 CA A:SER178 4.4 30.0 1.0 O3A A:ADP1999 4.4 30.0 1.0 CB A:SER178 4.5 30.0 1.0 CB A:SER241 4.6 30.0 1.0 O A:SER241 4.7 30.0 1.0 C A:SER178 4.9 30.0 1.0 CA A:SER240 4.9 30.0 1.0 CA A:SER241 5.0 30.0 1.0

Vanadium binding site 2 out of 2 in the Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State within 5.0Å range: probe atom residue distance (Å) B Occ B:V2998 b:30.0 occ:1.00 V B:VO42998 0.0 30.0 1.0 O2 B:VO42998 1.6 30.0 1.0 O1 B:VO42998 1.7 30.0 1.0 O3 B:VO42998 1.7 30.0 1.0 O3B B:ADP2999 2.1 30.0 1.0 O4 B:VO42998 2.3 30.0 1.0 PB B:ADP2999 3.2 30.0 1.0 MG B:MG2997 3.4 30.0 1.0 O1B B:ADP2999 3.5 30.0 1.0 N B:GLY463 3.9 30.0 1.0 O2B B:ADP2999 4.1 30.0 1.0 N B:GLY179 4.3 30.0 1.0 CA B:SER178 4.4 30.0 1.0 O3A B:ADP2999 4.4 30.0 1.0 CB B:SER178 4.5 30.0 1.0 CA B:ALA462 4.5 30.0 1.0 N B:SER241 4.6 30.0 1.0 C B:ALA462 4.6 30.0 1.0 C B:SER178 4.8 30.0 1.0 CB B:SER241 4.9 30.0 1.0

A.Houdusse, A.G.Szent-Gyorgyi, C.Cohen. Three Conformational States of Scallop Myosin S1. Proc.Natl.Acad.Sci.Usa V. 97 11238 2000.
ISSN: ISSN 0027-8424
PubMed: 11016966
DOI: 10.1073/PNAS.200376897