Calcium in PDB 4l73: CA2+-Bound Mthk Rck Domain at 2.5 Angstrom

The structure of CA2+-Bound Mthk Rck Domain at 2.5 Angstrom, PDB code: 4l73 was solved by F.J.Smith, B.S.Rothberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.51 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.960, 67.960, 159.891, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 22.6

The structure of CA2+-Bound Mthk Rck Domain at 2.5 Angstrom also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	8 atoms

The binding sites of Calcium atom in the CA2+-Bound Mthk Rck Domain at 2.5 Angstrom (pdb code 4l73). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the CA2+-Bound Mthk Rck Domain at 2.5 Angstrom, PDB code: 4l73:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the CA2+-Bound Mthk Rck Domain at 2.5 Angstrom


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 2.5 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:39.9 occ:1.00 O A:HOH522 2.2 29.8 1.0 OE2 A:GLU210 2.3 53.4 1.0 O A:HOH523 2.4 44.0 1.0 O A:HOH505 2.4 45.1 1.0 OD2 A:ASP184 2.5 36.8 1.0 OD1 A:ASP184 2.5 39.5 1.0 OE2 A:GLU212 2.6 49.5 1.0 CG A:ASP184 2.8 38.2 1.0 CD A:GLU210 3.2 50.9 1.0 CD A:GLU212 3.5 51.7 1.0 O A:HOH510 3.6 38.4 1.0 OE1 A:GLU212 3.7 51.8 1.0 OE1 A:GLU210 3.9 49.4 1.0 OG A:SER124 4.0 39.0 1.0 CB A:SER124 4.1 44.4 1.0 CG A:GLU210 4.2 46.7 1.0 OG A:SER126 4.3 41.9 1.0 CB A:ASP184 4.4 34.8 1.0 CE2 B:PHE232 4.6 53.4 1.0 O A:LEU185 4.8 45.5 1.0 CB A:GLU210 4.8 40.7 1.0 CB A:SER126 4.8 39.5 1.0 CG A:GLU212 4.9 51.5 1.0 CD2 B:PHE232 5.0 51.8 1.0

Calcium binding site 2 out of 5 in the CA2+-Bound Mthk Rck Domain at 2.5 Angstrom


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 2.5 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:57.9 occ:1.00 O A:HOH504 2.3 58.5 1.0 O A:ARG241 2.3 43.9 1.0 OE2 B:GLU266 2.6 67.0 1.0 OE2 A:GLU248 2.6 46.5 1.0 OE1 B:GLU266 2.7 69.8 1.0 CD B:GLU266 2.8 64.7 1.0 OE1 A:GLU248 2.9 46.1 1.0 O A:ASP245 3.0 59.6 1.0 CD A:GLU248 3.1 47.4 1.0 C A:ARG241 3.4 43.1 1.0 OD1 A:ASP245 3.5 81.2 1.0 O A:HOH536 4.0 61.0 1.0 CA A:ARG241 4.0 43.8 1.0 CG B:GLU266 4.1 54.9 1.0 C A:ASP245 4.1 58.4 1.0 CB A:ARG241 4.2 44.1 1.0 N A:ASP245 4.3 69.7 1.0 N A:SER242 4.5 44.5 1.0 CG A:GLU248 4.6 35.2 1.0 CG A:ASP245 4.7 79.7 1.0 CA A:SER242 4.7 44.0 1.0 CA A:ASP245 4.8 67.9 1.0 O A:HOH502 4.8 31.2 1.0

Calcium binding site 3 out of 5 in the CA2+-Bound Mthk Rck Domain at 2.5 Angstrom


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of CA2+-Bound Mthk Rck Domain at 2.5 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:50.9 occ:1.00 O B:HOH507 2.3 46.6 1.0 OE2 A:GLU326 2.4 54.6 1.0 O B:HOH511 2.4 48.6 1.0 O A:GLY290 2.4 41.8 1.0 OD1 B:ASP305 2.5 48.9 1.0 OD2 B:ASP305 2.5 53.4 1.0 OE1 A:GLU326 2.6 48.9 1.0 CD A:GLU326 2.8 47.2 1.0 CG B:ASP305 2.8 49.4 1.0 C A:GLY290 3.4 44.6 1.0 O B:HOH512 3.6 50.3 1.0 CA A:GLY290 3.9 44.4 1.0 CG A:GLU326 4.2 48.1 1.0 CB B:ASP305 4.3 45.6 1.0 CE1 A:HIS286 4.3 49.1 1.0 O B:ASP305 4.4 43.8 1.0 N A:VAL291 4.6 39.5 1.0 CA A:GLY322 4.6 44.4 1.0 CE A:LYS323 4.6 72.0 1.0 O A:ILE321 4.8 44.5 1.0 ND1 A:HIS286 4.9 45.7 1.0 NE A:ARG262 4.9 54.5 1.0 C B:ASP305 4.9 44.6 1.0 CB A:GLU326 4.9 45.3 1.0 O B:PRO306 4.9 56.3 1.0 N A:LYS323 4.9 51.5 1.0 CA A:VAL291 5.0 40.4 1.0

Calcium binding site 4 out of 5 in the CA2+-Bound Mthk Rck Domain at 2.5 Angstrom


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of CA2+-Bound Mthk Rck Domain at 2.5 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:43.3 occ:1.00 O B:HOH508 2.4 37.5 1.0 OD2 B:ASP184 2.4 36.8 1.0 OE2 B:GLU210 2.5 43.7 1.0 O B:HOH530 2.5 43.3 1.0 OD1 B:ASP184 2.5 40.4 1.0 O B:HOH510 2.5 38.7 1.0 OE2 B:GLU212 2.7 51.5 1.0 CG B:ASP184 2.8 35.9 1.0 CD B:GLU210 3.4 44.9 1.0 CD B:GLU212 3.6 54.0 1.0 OE1 B:GLU212 3.7 56.7 1.0 OG B:SER124 4.0 35.0 1.0 CB B:SER124 4.1 37.0 1.0 OG B:SER126 4.1 45.6 1.0 CG B:GLU210 4.2 39.9 1.0 OE1 B:GLU210 4.3 45.8 1.0 CB B:ASP184 4.3 31.5 1.0 CB B:SER126 4.7 42.0 1.0 CB B:GLU210 4.9 35.7 1.0 O B:LEU185 5.0 47.0 1.0 O B:HOH531 5.0 46.5 1.0

Calcium binding site 5 out of 5 in the CA2+-Bound Mthk Rck Domain at 2.5 Angstrom


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of CA2+-Bound Mthk Rck Domain at 2.5 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:41.8 occ:1.00 O B:HOH501 2.3 40.0 1.0 OD2 A:ASP305 2.3 51.5 1.0 O B:GLY290 2.4 41.1 1.0 O A:HOH506 2.5 50.8 1.0 OE2 B:GLU326 2.5 58.5 1.0 OE1 B:GLU326 2.6 51.1 1.0 OD1 A:ASP305 2.6 50.4 1.0 CG A:ASP305 2.7 50.7 1.0 CD B:GLU326 2.8 54.7 1.0 C B:GLY290 3.4 49.1 1.0 O A:HOH508 4.0 30.2 1.0 CA B:GLY290 4.0 50.8 1.0 O A:ASP305 4.1 47.7 1.0 CB A:ASP305 4.2 42.6 1.0 CG B:GLU326 4.3 54.8 1.0 NE2 B:HIS286 4.4 56.1 1.0 N B:VAL291 4.5 38.4 1.0 O B:HOH547 4.6 55.9 1.0 CD2 B:HIS286 4.7 51.1 1.0 CA B:GLY322 4.8 41.5 1.0 C A:ASP305 4.8 45.1 1.0 CA B:VAL291 4.9 36.4 1.0 N B:LYS323 4.9 47.2 1.0 CA A:ASP305 5.0 40.7 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