Calcium in PDB 4l75: CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 Angstrom

The structure of CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 Angstrom, PDB code: 4l75 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)	44.59 / 2.39
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	119.228, 119.228, 353.958, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 24.5

The binding sites of Calcium atom in the CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 Angstrom (pdb code 4l75). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 Angstrom, PDB code: 4l75:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 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 D184N Mutant Mthk Rck Domain at 2.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:73.8 occ:1.00 O A:GLY290 2.4 61.1 1.0 OD2 B:ASP305 2.4 59.5 1.0 OE1 A:GLU326 2.5 68.3 1.0 O A:HOH501 2.6 66.1 1.0 OE2 A:GLU326 2.7 68.3 1.0 O B:HOH502 2.8 55.2 1.0 CD A:GLU326 2.9 67.4 1.0 OD1 B:ASP305 3.0 63.2 1.0 CG B:ASP305 3.0 58.9 1.0 C A:GLY290 3.5 59.1 1.0 CA A:GLY290 4.1 60.7 1.0 CG A:GLU326 4.3 66.6 1.0 CB B:ASP305 4.4 48.0 1.0 CA A:GLY322 4.4 51.1 1.0 O B:ASP305 4.5 45.5 1.0 N A:VAL291 4.5 57.8 1.0 NZ A:LYS323 4.6 89.7 1.0 CE1 A:HIS286 4.6 69.0 1.0 N A:LYS323 4.7 59.2 1.0 O A:ILE321 4.8 48.0 1.0 CA A:VAL291 4.8 55.0 1.0 CD A:ARG262 4.8 70.6 1.0 CB A:GLU326 4.9 62.9 1.0 NH1 A:ARG262 5.0 84.1 1.0

Calcium binding site 2 out of 6 in the CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 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 D184N Mutant Mthk Rck Domain at 2.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:82.0 occ:1.00 OD2 A:ASP305 2.4 62.6 1.0 O B:GLY290 2.4 61.5 1.0 OE2 B:GLU326 2.7 75.2 1.0 O A:HOH520 2.8 68.1 1.0 CG A:ASP305 3.1 59.4 1.0 OE1 B:GLU326 3.1 69.0 1.0 CD B:GLU326 3.3 72.1 1.0 OD1 A:ASP305 3.3 59.1 1.0 C B:GLY290 3.5 59.5 1.0 CA B:GLY290 3.9 57.9 1.0 CE1 B:HIS286 4.1 68.7 1.0 NZ B:LYS323 4.3 0.3 1.0 O A:ASP305 4.3 48.9 1.0 CB A:ASP305 4.4 53.0 1.0 N B:VAL291 4.7 54.4 1.0 CG B:GLU326 4.7 69.3 1.0 ND1 B:HIS286 4.7 66.8 1.0 O A:HOH510 4.8 59.8 1.0

Calcium binding site 3 out of 6 in the CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 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 D184N Mutant Mthk Rck Domain at 2.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:0.9 occ:1.00 OD2 D:ASP305 2.4 0.2 1.0 OE2 C:GLU326 2.5 0.1 1.0 O C:GLY290 2.7 95.1 1.0 CG D:ASP305 3.2 99.4 1.0 OE1 C:GLU326 3.2 0.5 1.0 CD C:GLU326 3.2 0.3 1.0 OD1 D:ASP305 3.4 99.7 1.0 C C:GLY290 3.7 96.5 1.0 CA C:GLY290 4.1 98.3 1.0 NZ C:LYS323 4.4 0.6 1.0 O D:ASP305 4.4 86.2 1.0 CB D:ASP305 4.4 91.6 1.0 NH1 C:ARG262 4.5 0.7 1.0 CE1 C:HIS286 4.7 0.7 1.0 CG C:GLU326 4.7 0.8 1.0 N C:VAL291 4.9 94.8 1.0

Calcium binding site 4 out of 6 in the CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 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 D184N Mutant Mthk Rck Domain at 2.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca401 b:0.8 occ:1.00 OD2 C:ASP305 2.4 0.7 1.0 OE2 D:GLU326 2.5 0.0 1.0 O D:GLY290 2.6 94.8 1.0 OE1 D:GLU326 2.9 0.7 1.0 CD D:GLU326 3.1 0.8 1.0 CG C:ASP305 3.1 0.2 1.0 OD1 C:ASP305 3.3 0.6 1.0 C D:GLY290 3.6 91.8 1.0 CA D:GLY290 4.1 94.3 1.0 O C:HOH519 4.2 78.5 1.0 O C:ASP305 4.3 99.7 1.0 CB C:ASP305 4.4 97.9 1.0 CG D:GLU326 4.6 0.2 1.0 NH1 D:ARG262 4.7 0.5 1.0 N D:VAL291 4.8 85.2 1.0 CE1 D:HIS286 4.9 0.1 1.0

Calcium binding site 5 out of 6 in the CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 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 D184N Mutant Mthk Rck Domain at 2.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca401 b:0.8 occ:1.00 OD2 F:ASP305 2.4 71.0 1.0 OE2 E:GLU326 2.4 92.1 1.0 O E:GLY290 2.6 68.5 1.0 CG F:ASP305 2.9 66.9 1.0 OE1 E:GLU326 3.1 90.3 1.0 CD E:GLU326 3.1 90.1 1.0 OD1 F:ASP305 3.1 70.0 1.0 C E:GLY290 3.6 71.6 1.0 O F:ASP305 3.8 58.1 1.0 CA E:GLY290 4.0 74.3 1.0 CB F:ASP305 4.2 56.2 1.0 CG E:GLU326 4.5 86.3 1.0 CE1 E:HIS286 4.5 80.4 1.0 C F:ASP305 4.7 52.3 1.0 O E:HOH507 4.8 67.3 1.0 N E:VAL291 4.8 71.6 1.0 O F:PRO306 5.0 62.8 1.0

Calcium binding site 6 out of 6 in the CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 Angstrom


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of CA2+-Bound D184N Mutant Mthk Rck Domain at 2.4 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca401 b:81.6 occ:1.00 OD2 E:ASP305 2.4 70.0 1.0 O F:GLY290 2.4 60.8 1.0 OE2 F:GLU326 2.6 85.2 1.0 O F:HOH501 3.0 59.2 1.0 O E:HOH516 3.0 69.0 1.0 CD F:GLU326 3.2 78.4 1.0 OE1 F:GLU326 3.2 74.8 1.0 CG E:ASP305 3.2 66.7 1.0 C F:GLY290 3.4 60.1 1.0 OD1 E:ASP305 3.6 65.0 1.0 CA F:GLY290 3.7 60.6 1.0 CE1 F:HIS286 4.1 66.0 1.0 CB E:ASP305 4.5 63.0 1.0 O E:ASP305 4.5 69.4 1.0 CG F:GLU326 4.6 76.1 1.0 N F:VAL291 4.6 57.2 1.0 ND1 F:HIS286 4.7 65.1 1.0 O F:HOH519 4.8 69.9 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