Calcium in PDB 4l74: CA2+-Bound Mthk Rck Domain at 1.9 Angstrom with Single Ligand

The structure of CA2+-Bound Mthk Rck Domain at 1.9 Angstrom with Single Ligand, PDB code: 4l74 was solved by F.J.Smith, G.Cingolani, B.S.Rothberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.84 / 1.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.233, 38.424, 96.821, 90.00, 94.32, 90.00
R / Rfree (%)	21.1 / 25.3

The binding sites of Calcium atom in the CA2+-Bound Mthk Rck Domain at 1.9 Angstrom with Single Ligand (pdb code 4l74). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the CA2+-Bound Mthk Rck Domain at 1.9 Angstrom with Single Ligand, PDB code: 4l74:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the CA2+-Bound Mthk Rck Domain at 1.9 Angstrom with Single Ligand


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of CA2+-Bound Mthk Rck Domain at 1.9 Angstrom with Single Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:24.3 occ:1.00 OE2 A:GLU210 2.2 26.1 1.0 OD1 A:ASP184 2.3 24.9 1.0 OE2 A:GLU212 2.4 33.8 1.0 O A:HOH503 2.4 24.2 1.0 O A:HOH655 2.4 31.2 1.0 O A:HOH552 2.5 36.3 1.0 CD A:GLU210 3.3 21.8 1.0 CD A:GLU212 3.5 31.2 1.0 CG A:ASP184 3.5 33.8 1.0 O A:HOH539 3.9 30.9 1.0 CG A:GLU212 3.9 23.8 1.0 OG A:SER124 3.9 23.9 1.0 OE1 A:GLU210 4.0 21.8 1.0 OD2 A:ASP184 4.1 36.2 1.0 CG A:GLU210 4.3 17.9 1.0 CB A:SER124 4.4 25.3 1.0 OG A:SER126 4.4 21.2 1.0 CB A:GLU210 4.5 19.8 1.0 OE1 A:GLU212 4.6 32.2 1.0 CB A:ASP184 4.7 23.3 1.0 O A:HOH502 4.8 26.8 1.0 CA A:ASP184 4.8 18.9 1.0 C A:ASP184 4.8 16.1 1.0 CE1 B:PHE232 4.8 30.6 1.0 O A:HOH668 4.9 37.0 1.0 OE1 A:GLU186 5.0 56.8 1.0 O A:HOH662 5.0 42.1 1.0

Calcium binding site 2 out of 2 in the CA2+-Bound Mthk Rck Domain at 1.9 Angstrom with Single Ligand


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of CA2+-Bound Mthk Rck Domain at 1.9 Angstrom with Single Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:23.3 occ:1.00 OE2 B:GLU210 2.2 20.4 1.0 OE2 B:GLU212 2.4 35.9 1.0 O B:HOH524 2.4 24.5 1.0 O B:HOH566 2.5 33.1 1.0 O B:HOH508 2.5 23.2 1.0 OD1 B:ASP184 2.5 22.6 1.0 OD2 B:ASP184 2.6 28.5 1.0 CG B:ASP184 2.9 24.8 1.0 CD B:GLU210 3.4 21.9 1.0 O B:HOH501 3.4 21.9 1.0 CD B:GLU212 3.5 31.5 1.0 OE1 B:GLU212 3.8 25.3 1.0 CG B:GLU210 4.2 24.0 1.0 O B:HOH660 4.2 34.9 1.0 OG B:SER124 4.2 20.5 1.0 OG B:SER126 4.2 23.2 1.0 OE1 B:GLU210 4.3 23.0 1.0 CE2 A:PHE232 4.4 25.3 1.0 CB B:SER124 4.4 22.5 1.0 CB B:ASP184 4.5 20.6 1.0 O B:HOH550 4.5 45.4 1.0 O B:HOH551 4.5 40.9 1.0 O B:HOH520 4.7 32.6 1.0 CG B:GLU212 4.8 30.5 1.0 O B:LEU185 4.8 25.9 1.0 CZ A:PHE232 4.8 27.0 1.0 CB B:GLU210 4.9 22.0 1.0 CB B:SER126 4.9 23.7 1.0 CD2 A:PHE232 4.9 27.2 1.0

F.J.Smith, V.P.Pau, G.Cingolani, B.S.Rothberg. Structural Basis of Allosteric Interactions Among Ca(2+)-Binding Sites in A K(+) Channel Rck Domain. Nat Commun V. 4 2621 2013.
ISSN: ESSN 2041-1723
PubMed: 24126388
DOI: 10.1038/NCOMMS3621