Calcium in PDB 1kk8: Scallop Myosin (S1-Adp-Befx) in the Actin-Detached Conformation

The structure of Scallop Myosin (S1-Adp-Befx) in the Actin-Detached Conformation, PDB code: 1kk8 was solved by M.Himmel, S.Gourinath, L.Reshetnikova, Y.Shen, G.Szent-Gyorgyi, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.84 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	51.604, 58.527, 133.295, 81.08, 84.94, 67.24
R / Rfree (%)	23 / 26.9

The structure of Scallop Myosin (S1-Adp-Befx) in the Actin-Detached Conformation also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Calcium atom in the Scallop Myosin (S1-Adp-Befx) in the Actin-Detached Conformation (pdb code 1kk8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Scallop Myosin (S1-Adp-Befx) in the Actin-Detached Conformation, PDB code: 1kk8:

Calcium binding site 1 out of 1 in the Scallop Myosin (S1-Adp-Befx) in the Actin-Detached Conformation


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-Adp-Befx) in the Actin-Detached Conformation within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca999 b:44.3 occ:1.00 OD1 C:ASP19 2.1 43.6 1.0 OD1 C:ASP22 2.3 51.9 1.0 O C:GLY23 2.3 60.4 1.0 O C:ALA27 2.4 54.1 1.0 OD2 C:ASP25 2.5 51.6 1.0 O C:ASP19 2.6 42.8 1.0 O C:HOH1001 2.8 55.4 1.0 CG C:ASP25 3.3 54.0 1.0 C C:GLY23 3.3 59.9 1.0 CG C:ASP19 3.3 44.6 1.0 C C:ASP19 3.5 43.1 1.0 CG C:ASP22 3.5 52.4 1.0 C C:ALA27 3.6 53.0 1.0 CA C:ASP19 3.6 43.0 1.0 OD1 C:ASP25 3.6 53.9 1.0 N C:ASP25 3.8 61.0 1.0 CB C:ASP19 4.0 43.7 1.0 O C:ASP22 4.0 53.1 1.0 C C:ASP22 4.0 53.3 1.0 N C:GLY23 4.1 55.2 1.0 N C:ARG24 4.2 61.9 1.0 OD2 C:ASP22 4.2 52.7 1.0 CA C:GLY23 4.2 57.4 1.0 N C:ALA27 4.2 54.4 1.0 CA C:ARG24 4.3 64.3 1.0 OD2 C:ASP19 4.3 46.3 1.0 CA C:ALA27 4.4 54.1 1.0 C C:ARG24 4.4 63.3 1.0 N C:VAL28 4.5 49.5 1.0 CB C:ASP25 4.5 56.7 1.0 CB C:ASP22 4.6 51.7 1.0 CA C:ASP25 4.6 58.2 1.0 CA C:VAL28 4.7 46.8 1.0 CA C:ASP22 4.7 51.7 1.0 N C:ASP22 4.7 48.9 1.0 O C:PHE18 4.7 41.5 1.0 CB C:ALA27 4.7 56.0 1.0 N C:PHE20 4.7 44.3 1.0 N C:ASP19 4.9 43.2 1.0 C C:ASP25 5.0 57.4 1.0

D.M.Himmel, S.Gourinath, L.Reshetnikova, Y.Shen, A.G.Szent-Gyorgyi, C.Cohen. Crystallographic Findings on the Internally Uncoupled and Near-Rigor States of Myosin: Further Insights Into the Mechanics of the Motor. Proc.Natl.Acad.Sci.Usa V. 99 12645 2002.
ISSN: ISSN 0027-8424
PubMed: 12297624
DOI: 10.1073/PNAS.202476799