Calcium in PDB 5crh: Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex

The structure of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex, PDB code: 5crh was solved by K.M.Lewis, L.A.Ronish, C.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.57 / 2.03
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.681, 68.553, 99.262, 90.00, 92.84, 90.00
R / Rfree (%)	17.6 / 20.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Calcium atom in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex (pdb code 5crh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 27 binding sites of Calcium where determined in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex, PDB code: 5crh:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:45.5 occ:1.00 OD1 A:ASP13 2.1 46.0 1.0 OE1 A:GLU55 2.3 44.0 1.0 OE2 A:GLU59 2.4 41.4 1.0 O A:VAL15 2.4 33.6 1.0 O A:HOH834 2.7 42.8 1.0 CG A:ASP13 3.2 52.9 1.0 CD A:GLU55 3.5 50.1 1.0 CD A:GLU59 3.5 38.9 1.0 C A:VAL15 3.6 33.4 1.0 OD2 A:ASP13 3.8 57.9 1.0 N A:VAL15 4.1 27.8 1.0 CG A:GLU55 4.2 44.0 1.0 CA A:VAL15 4.2 31.8 1.0 CB A:VAL15 4.2 32.9 1.0 CG A:GLU59 4.2 28.1 1.0 CB A:ASP13 4.4 46.9 1.0 OE1 A:GLU59 4.5 37.5 1.0 OE2 A:GLU55 4.5 50.8 1.0 CA A:ASP13 4.6 46.4 1.0 N A:ILE16 4.6 32.7 1.0 O A:HOH819 4.7 47.0 1.0 N A:ARG14 4.9 40.3 1.0 C A:ASP13 4.9 47.2 1.0 CA A:ILE16 4.9 39.6 1.0 CG1 A:VAL15 4.9 30.6 1.0

Calcium binding site 2 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:23.4 occ:1.00 O A:THR277 2.3 23.0 1.0 OG1 A:THR277 2.4 24.2 1.0 O A:HOH757 2.4 23.9 1.0 OG1 A:THR229 2.5 20.5 1.0 OE2 A:GLU199 2.5 21.5 1.0 OE1 A:GLU199 2.5 21.6 1.0 O A:HOH789 2.6 24.6 1.0 O A:HOH670 2.7 32.1 1.0 CD A:GLU199 2.9 23.6 1.0 C A:THR277 3.3 29.4 1.0 CB A:THR277 3.5 23.4 1.0 CA A:THR277 3.6 25.9 1.0 CB A:THR229 3.6 21.6 1.0 N A:THR229 3.9 20.4 1.0 O A:HOH507 4.3 43.5 1.0 CG2 A:THR277 4.3 25.9 1.0 CA A:THR229 4.3 19.4 1.0 CG A:GLU199 4.4 18.4 1.0 O A:HOH823 4.5 30.4 1.0 N A:GLU278 4.5 26.7 1.0 O A:HOH862 4.6 38.0 1.0 CG2 A:THR229 4.8 20.1 1.0 O A:HOH776 4.8 29.9 1.0 C A:SER228 4.9 20.0 1.0

Calcium binding site 3 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:24.2 occ:1.00 O A:ASP210 2.4 19.8 1.0 O A:HOH728 2.5 27.2 1.0 OD2 A:ASP210 2.5 24.6 1.0 O A:PRO212 2.5 20.9 1.0 OE2 A:GLU217 2.5 35.9 1.0 O A:HOH843 2.6 26.3 1.0 OE1 A:GLU217 2.6 27.0 1.0 CD A:GLU217 2.9 25.4 1.0 O A:HOH808 3.0 51.1 1.0 CG A:ASP210 3.5 28.7 1.0 C A:ASP210 3.6 18.8 1.0 C A:PRO212 3.6 19.9 1.0 CB A:ASP210 3.9 20.6 1.0 CA A:ASN213 4.2 18.9 1.0 ND2 A:ASN213 4.2 19.9 1.0 O A:HOH649 4.2 26.0 1.0 CA A:ASP210 4.4 19.0 1.0 N A:ASN213 4.4 19.5 1.0 N A:PRO212 4.4 18.3 1.0 CG A:GLU217 4.5 24.7 1.0 C A:LYS211 4.5 19.1 1.0 O A:HOH889 4.6 33.8 1.0 OD1 A:ASP210 4.6 27.9 1.0 N A:LYS211 4.6 16.8 1.0 CA A:PRO212 4.7 18.6 1.0 O A:HOH761 4.7 37.3 1.0 N A:SER214 4.7 19.5 1.0 O A:LYS211 4.8 18.1 1.0 CD A:PRO212 4.8 19.4 1.0 CA A:LYS211 4.8 20.1 1.0

Calcium binding site 4 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:27.4 occ:1.00 O A:HOH762 2.3 27.0 1.0 O A:THR189 2.3 21.8 1.0 O A:HOH636 2.4 21.6 1.0 O A:HOH655 2.5 20.3 1.0 OG1 A:THR189 2.5 30.6 1.0 O A:HOH841 2.5 42.9 1.0 O A:HOH660 2.7 25.0 1.0 C A:THR189 3.3 20.9 1.0 CB A:THR189 3.4 25.2 1.0 CA A:THR189 4.0 23.5 1.0 OE1 A:GLU194 4.1 25.6 1.0 OD2 A:ASP196 4.2 23.6 1.0 OG1 A:THR207 4.3 22.0 1.0 O A:LEU188 4.3 25.6 1.0 N A:LEU190 4.3 20.6 1.0 O A:HOH856 4.5 42.9 1.0 OD1 A:ASP196 4.6 21.1 1.0 O A:HOH845 4.6 36.7 1.0 O A:HOH631 4.6 37.3 1.0 CG2 A:THR189 4.7 27.7 1.0 CA A:LEU190 4.7 20.9 1.0 CG A:ASP196 4.9 24.5 1.0

Calcium binding site 5 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:16.7 occ:1.00 OE1 A:GLU240 2.4 17.2 1.0 OE1 A:GLU105 2.4 20.2 1.0 OD2 A:ASP107 2.4 16.6 1.0 OE2 A:GLU91 2.5 17.4 1.0 O A:HOH601 2.5 19.1 1.0 O A:HOH676 2.5 23.5 1.0 OE1 A:GLU91 2.6 16.5 1.0 CD A:GLU91 2.8 20.5 1.0 OE2 A:GLU105 3.1 26.9 1.0 CD A:GLU105 3.1 18.9 1.0 CD A:GLU240 3.4 25.6 1.0 CG A:ASP107 3.5 15.8 1.0 O A:HOH666 3.7 34.9 1.0 OE2 A:GLU240 3.8 21.4 1.0 OE2 A:GLU243 3.9 17.4 1.0 CB A:ASP107 3.9 15.0 1.0 CA A:CA406 4.0 17.3 1.0 OG A:SER94 4.3 19.3 1.0 CG A:GLU91 4.3 19.1 1.0 OD1 A:ASP107 4.5 15.2 1.0 CG A:GLU105 4.5 18.7 1.0 O A:HOH746 4.5 31.1 1.0 O A:HOH680 4.6 35.7 1.0 CA A:GLU240 4.7 14.8 1.0 CG A:GLU240 4.7 12.2 1.0 O A:HOH620 4.7 17.7 1.0 CB A:GLU240 4.7 11.7 1.0 O A:HOH722 4.9 27.6 1.0 CB A:GLU91 4.9 17.7 1.0 CD A:GLU243 4.9 16.7 1.0

Calcium binding site 6 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:17.3 occ:1.00 OE1 A:GLU91 2.3 16.5 1.0 O A:HOH827 2.4 16.7 1.0 O A:HOH772 2.5 21.2 1.0 OD2 A:ASP107 2.5 16.6 1.0 OE1 A:GLU243 2.5 21.3 1.0 OE2 A:GLU243 2.5 17.4 1.0 O A:HOH613 2.6 17.3 1.0 OD1 A:ASP107 2.6 15.2 1.0 CD A:GLU243 2.9 16.7 1.0 CG A:ASP107 2.9 15.8 1.0 CD A:GLU91 3.5 20.5 1.0 CA A:CA405 4.0 16.7 1.0 CG A:GLU91 4.2 19.1 1.0 OG A:SER94 4.2 19.3 1.0 O A:HOH608 4.2 20.5 1.0 O A:HOH722 4.3 27.6 1.0 O A:HOH601 4.4 19.1 1.0 CG A:GLU243 4.4 18.5 1.0 CB A:ASP107 4.4 15.0 1.0 CB A:TYR239 4.5 14.5 1.0 OE2 A:GLU91 4.5 17.4 1.0 O A:HOH575 4.6 19.2 1.0 OE1 A:GLU105 4.7 20.2 1.0 O A:VAL92 4.9 19.9 1.0

Calcium binding site 7 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca407 b:50.1 occ:1.00 OD2 B:ASP113 2.2 30.9 1.0 OD2 A:ASP113 2.4 28.8 1.0 O A:HOH740 2.5 32.1 1.0 O B:HOH558 2.6 29.0 1.0 O A:HOH821 3.0 37.7 1.0 CG B:ASP113 3.2 27.8 1.0 CG A:ASP113 3.3 31.2 1.0 OD1 A:ASP113 3.6 25.2 1.0 OD1 B:ASP113 3.6 26.9 1.0 O A:HOH928 3.9 37.6 1.0 O B:HOH772 4.1 44.4 1.0 O A:HOH752 4.2 35.0 1.0 O B:HOH720 4.2 38.3 1.0 O A:HOH824 4.3 46.8 1.0 O A:HOH527 4.5 34.4 1.0 O A:HOH683 4.5 39.3 1.0 CB B:ASP113 4.5 26.7 1.0 O B:HOH741 4.6 43.4 1.0 CB A:ASP113 4.7 18.6 1.0 O B:HOH560 4.7 34.1 1.0 O B:HOH634 5.0 36.9 1.0

Calcium binding site 8 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:61.0 occ:1.00 O B:HOH716 2.2 37.7 1.0 O B:ASP290 2.4 22.2 1.0 O A:HOH637 2.6 40.2 1.0 OE1 A:GLU117 2.7 34.3 1.0 OE2 A:GLU117 2.8 40.2 1.0 CD A:GLU117 3.1 37.8 1.0 C B:ASP290 3.6 22.5 1.0 CA B:ASP291 4.4 19.2 1.0 N B:ASP291 4.4 20.9 1.0 CB B:ASP290 4.4 23.7 1.0 O A:HOH840 4.4 38.8 1.0 CA B:ASP290 4.5 19.8 1.0 CG A:GLU117 4.5 19.5 1.0 OD1 B:ASP291 4.7 21.6 1.0 O B:HOH588 4.8 27.0 1.0 CG B:ASP290 4.9 32.1 1.0 C B:ASP291 5.0 18.3 1.0 OD1 B:ASP290 5.0 34.7 1.0

Calcium binding site 9 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca409 b:39.4 occ:1.00 O A:HOH753 2.2 40.0 1.0 O A:HOH544 2.3 31.1 1.0 OD1 A:ASP121 2.4 19.1 1.0 O A:HOH773 2.4 44.9 1.0 OD1 B:ASP290 2.5 34.7 1.0 OD2 B:ASP290 2.7 37.0 1.0 CG B:ASP290 3.0 32.1 1.0 CG A:ASP121 3.2 24.6 1.0 O A:HOH583 3.2 40.3 1.0 OD2 A:ASP121 3.4 21.9 1.0 O B:HOH578 3.4 40.7 1.0 CG A:GLU117 4.2 19.5 1.0 OE2 A:GLU117 4.3 40.2 1.0 OE2 B:GLU256 4.4 40.5 1.0 O B:HOH646 4.4 29.8 1.0 O A:HOH704 4.5 41.9 1.0 CB B:ASP290 4.5 23.7 1.0 OE2 A:GLU124 4.6 47.5 1.0 O B:HOH507 4.6 36.4 1.0 CB A:ASP121 4.6 20.1 1.0 O A:GLU117 4.6 19.9 1.0 CD A:GLU117 4.8 37.8 1.0 O B:HOH774 4.9 35.6 1.0 CD B:GLU256 5.0 29.2 1.0 O A:HOH896 5.0 41.5 1.0

Calcium binding site 10 out of 27 in the Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Human Skeletal Calsequestrin, M53T Mutant High-Calcium Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca410 b:54.3 occ:1.00 O A:HOH675 2.3 38.0 1.0 O A:HOH693 2.3 47.0 1.0 O A:HOH656 2.4 39.0 1.0 OD1 A:ASP165 2.4 32.0 1.0 O A:HOH936 2.5 45.2 1.0 O A:HOH783 2.5 31.0 1.0 CG A:ASP165 3.5 32.7 1.0 OD2 A:ASP165 3.8 37.4 1.0 OE2 A:GLU168 4.4 28.9 1.0 OE1 A:GLU168 4.5 25.3 1.0 O A:HOH531 4.6 31.6 1.0 OE2 A:GLU164 4.7 38.7 1.0 CB A:ASP165 4.8 25.1 1.0 CD A:GLU168 4.8 23.7 1.0 O A:LYS161 4.8 21.6 1.0 CA A:ASP165 4.9 20.8 1.0 N A:ASP165 5.0 17.4 1.0

K.M.Lewis, L.A.Ronish, E.Rios, C.Kang. Characterization of Two Human Skeletal Calsequestrin Mutants Implicated in Malignant Hyperthermia and Vacuolar Aggregate Myopathy. J.Biol.Chem. V. 290 28665 2015.
ISSN: ESSN 1083-351X
PubMed: 26416891
DOI: 10.1074/JBC.M115.686261