Calcium in PDB 5crd: Wild-Type Human Skeletal Calsequestrin

The structure of Wild-Type Human Skeletal Calsequestrin, PDB code: 5crd 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)	43.89 / 2.08
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	59.170, 145.132, 110.242, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.7

The binding sites of Calcium atom in the Wild-Type Human Skeletal Calsequestrin (pdb code 5crd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Wild-Type Human Skeletal Calsequestrin, PDB code: 5crd:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Wild-Type Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Wild-Type Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:71.2 occ:1.00 OD2 A:ASP80 2.4 45.7 1.0 O A:VAL18 2.4 32.3 1.0 OD1 A:ASN17 2.4 61.7 1.0 O A:HOH555 2.5 46.9 1.0 O A:LEU74 2.6 36.4 1.0 N A:VAL18 3.2 32.4 1.0 C A:VAL18 3.3 36.4 1.0 C A:LEU74 3.5 36.2 1.0 CG A:ASP80 3.5 55.4 1.0 CG A:ASN17 3.5 67.6 1.0 C A:ASN17 3.7 43.0 1.0 CA A:VAL18 3.8 35.9 1.0 NZ A:LYS79 3.8 54.8 1.0 CA A:VAL75 3.8 32.6 1.0 N A:ASP76 3.8 38.6 1.0 CA A:ASN17 4.0 42.3 1.0 N A:VAL75 4.0 34.2 1.0 OD1 A:ASP80 4.1 47.0 1.0 N A:ASN19 4.3 37.4 1.0 CB A:ASN17 4.3 58.8 1.0 C A:VAL75 4.3 40.6 1.0 ND2 A:ASN17 4.4 71.1 1.0 O A:ASN17 4.5 45.6 1.0 CB A:VAL18 4.5 29.5 1.0 CE A:LYS79 4.5 68.2 1.0 CB A:LEU74 4.5 30.5 1.0 CB A:ASP80 4.5 46.4 1.0 CA A:LEU74 4.6 31.9 1.0 CA A:ASN19 4.7 42.5 1.0 CB A:ASP76 4.7 45.8 1.0 CB A:ASN19 4.9 30.9 1.0 CA A:ASP76 4.9 35.8 1.0

Calcium binding site 2 out of 4 in the Wild-Type Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Wild-Type Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:71.8 occ:1.00 O A:HOH693 2.3 54.5 1.0 OG1 A:THR277 2.3 49.2 1.0 OE2 A:GLU199 2.4 35.9 1.0 OG1 A:THR229 2.5 29.0 1.0 OE1 A:GLU199 2.5 41.8 1.0 O A:THR277 2.5 52.7 1.0 CD A:GLU199 2.8 52.5 1.0 CA A:THR277 3.3 42.6 1.0 C A:THR277 3.3 49.3 1.0 CB A:THR277 3.3 52.3 1.0 CB A:THR229 3.6 30.5 1.0 N A:THR229 4.0 27.5 1.0 O A:HOH509 4.2 45.2 1.0 CG A:GLU199 4.3 32.1 1.0 O A:HOH621 4.3 56.9 1.0 O A:HOH700 4.4 42.0 1.0 CA A:THR229 4.4 31.7 1.0 CG2 A:THR277 4.4 48.3 1.0 N A:GLU278 4.6 57.0 1.0 O A:HOH593 4.6 47.0 1.0 CE A:MET202 4.7 48.4 1.0 N A:THR277 4.7 41.1 1.0 O A:HOH556 4.7 30.4 1.0 CG2 A:THR229 4.8 33.3 1.0

Calcium binding site 3 out of 4 in the Wild-Type Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Wild-Type Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:78.3 occ:1.00 O A:HOH503 2.1 59.6 1.0 O A:ASP210 2.2 43.4 1.0 OE1 A:GLU217 2.4 45.8 1.0 O A:PRO212 2.5 38.7 1.0 OE2 A:GLU217 2.7 64.0 1.0 O A:HOH678 2.8 59.7 1.0 CD A:GLU217 2.9 48.1 1.0 C A:ASP210 3.5 34.8 1.0 C A:PRO212 3.5 39.8 1.0 CB A:ASP210 3.9 51.2 1.0 CA A:ASN213 3.9 32.6 1.0 ND2 A:ASN213 4.1 33.0 1.0 N A:ASN213 4.2 31.5 1.0 CA A:ASP210 4.3 49.2 1.0 N A:LYS211 4.4 31.9 1.0 CG A:GLU217 4.4 45.6 1.0 C A:LYS211 4.5 48.1 1.0 CA A:LYS211 4.5 39.2 1.0 N A:PRO212 4.5 40.7 1.0 N A:SER214 4.5 28.4 1.0 CA A:PRO212 4.7 35.6 1.0 C A:ASN213 4.7 28.0 1.0 O A:HOH710 4.8 45.1 1.0 CG A:ASN213 4.9 29.9 1.0 O A:LYS211 4.9 46.8 1.0 CB A:ASN213 4.9 29.0 1.0 O A:PRO209 5.0 38.0 1.0

Calcium binding site 4 out of 4 in the Wild-Type Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Wild-Type Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:86.0 occ:1.00 O A:THR189 2.3 46.0 1.0 OG1 A:THR189 2.4 44.1 1.0 O A:HOH630 2.5 42.2 1.0 CB A:THR189 3.1 43.3 1.0 C A:THR189 3.4 33.2 1.0 CA A:THR189 3.8 32.5 1.0 O A:HOH640 3.9 44.7 1.0 OD2 A:ASP196 4.0 36.5 1.0 O A:LEU188 4.2 39.7 1.0 CG2 A:THR189 4.4 38.2 1.0 N A:LEU190 4.5 38.4 1.0 OE1 A:GLU194 4.7 34.8 1.0 OD1 A:ASP196 4.8 31.7 1.0 CG A:ASP196 4.8 41.4 1.0 N A:THR189 4.9 37.3 1.0 CA A:LEU190 5.0 34.0 1.0 C A:LEU188 5.0 47.7 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