Calcium 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
Vanadium	(V)	2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Scallop Myosin S1 Complexed with Mgadp:Vanadate-Transition State, PDB code: 1dfl:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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 Z:Ca1995 b:30.0 occ:1.00 O Z:ALA27 2.3 30.0 1.0 O Z:GLY23 2.4 30.0 1.0 O Z:ASP19 2.5 30.0 1.0 O Z:ASP22 3.4 30.0 1.0 C Z:GLY23 3.4 30.0 1.0 C Z:ASP19 3.5 30.0 1.0 C Z:ALA27 3.5 30.0 1.0 CA Z:ASP19 3.7 30.0 1.0 C Z:ASP22 3.8 30.0 1.0 N Z:ASP25 4.0 30.0 1.0 N Z:ALA27 4.1 30.0 1.0 CB Z:ASP19 4.1 30.0 1.0 N Z:GLY23 4.3 30.0 1.0 N Z:ARG24 4.3 30.0 1.0 CA Z:ALA27 4.3 30.0 1.0 CA Z:GLY23 4.3 30.0 1.0 CA Z:ARG24 4.3 30.0 1.0 C Z:ARG24 4.4 30.0 1.0 CB Z:ASP25 4.5 30.0 1.0 N Z:VAL28 4.5 30.0 1.0 CB Z:ASP22 4.5 30.0 1.0 CB Z:ALA27 4.6 30.0 1.0 CA Z:VAL28 4.7 30.0 1.0 CA Z:ASP22 4.7 30.0 1.0 CA Z:ASP25 4.7 30.0 1.0 N Z:PHE20 4.7 30.0 1.0 N Z:GLY26 4.8 30.0 1.0 N Z:ASP22 4.8 30.0 1.0 C Z:ASP25 4.9 30.0 1.0

Calcium 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 Calcium with other atoms in the Ca 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 X:Ca2995 b:30.0 occ:1.00 O X:ALA27 2.3 30.0 1.0 O X:GLY23 2.4 30.0 1.0 O X:ASP19 2.5 30.0 1.0 O X:ASP22 3.4 30.0 1.0 C X:GLY23 3.4 30.0 1.0 C X:ASP19 3.5 30.0 1.0 C X:ALA27 3.5 30.0 1.0 CA X:ASP19 3.7 30.0 1.0 C X:ASP22 3.8 30.0 1.0 N X:ASP25 4.0 30.0 1.0 N X:ALA27 4.1 30.0 1.0 CB X:ASP19 4.1 30.0 1.0 N X:GLY23 4.3 30.0 1.0 N X:ARG24 4.3 30.0 1.0 CA X:ALA27 4.3 30.0 1.0 CA X:GLY23 4.3 30.0 1.0 CA X:ARG24 4.3 30.0 1.0 C X:ARG24 4.4 30.0 1.0 CB X:ASP25 4.5 30.0 1.0 N X:VAL28 4.5 30.0 1.0 CB X:ASP22 4.5 30.0 1.0 CB X:ALA27 4.6 30.0 1.0 CA X:VAL28 4.7 30.0 1.0 CA X:ASP22 4.7 30.0 1.0 CA X:ASP25 4.7 30.0 1.0 N X:PHE20 4.7 30.0 1.0 N X:GLY26 4.8 30.0 1.0 N X:ASP22 4.8 30.0 1.0 C X:ASP25 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