Calcium in PDB 5kn3: Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form

The structure of Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form, PDB code: 5kn3 was solved by K.M.Lewis, S.Byrd, C.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.24 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	59.393, 146.060, 110.340, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.1

The binding sites of Calcium atom in the Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form (pdb code 5kn3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form, PDB code: 5kn3:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:0.5 occ:1.00 O A:HOH745 2.3 40.7 1.0 OD1 A:ASN17 2.4 1.0 1.0 OD2 A:ASP80 2.5 60.9 1.0 O A:MET74 2.6 36.6 1.0 O A:VAL18 2.7 52.3 1.0 HA A:VAL75 2.9 59.2 1.0 H A:ASP76 3.1 53.1 1.0 HZ2 A:LYS79 3.2 0.3 1.0 H A:VAL18 3.3 53.9 1.0 CG A:ASN17 3.4 88.1 1.0 HA A:ASN17 3.4 64.3 1.0 N A:VAL18 3.5 44.9 1.0 HZ1 A:LYS79 3.5 0.3 1.0 CG A:ASP80 3.5 75.0 1.0 C A:MET74 3.5 39.9 1.0 HZ3 A:LYS79 3.5 0.3 1.0 NZ A:LYS79 3.6 0.9 1.0 C A:VAL18 3.6 52.9 1.0 CA A:VAL75 3.7 49.3 1.0 N A:ASP76 3.8 44.3 1.0 C A:ASN17 3.8 50.0 1.0 N A:VAL75 4.0 42.5 1.0 CA A:ASN17 4.0 53.6 1.0 OD1 A:ASP80 4.0 89.5 1.0 HB2 A:ASP76 4.0 59.3 1.0 HD21 A:ASN17 4.1 0.1 1.0 CA A:VAL18 4.1 45.4 1.0 ND2 A:ASN17 4.1 93.4 1.0 C A:VAL75 4.2 50.4 1.0 HB A:VAL18 4.2 49.3 1.0 HB2 A:MET74 4.2 46.1 1.0 CB A:ASN17 4.3 63.4 1.0 HB3 A:ASN19 4.5 62.4 1.0 O A:ASN17 4.5 49.0 1.0 HB3 A:ASP76 4.6 59.3 1.0 HB2 A:ASP80 4.6 84.4 1.0 CB A:ASP80 4.6 70.3 1.0 CB A:ASP76 4.6 49.4 1.0 HG22 A:VAL75 4.7 44.0 1.0 HA A:ASN19 4.7 59.8 1.0 CA A:MET74 4.7 39.3 1.0 HB3 A:MET74 4.7 46.1 1.0 N A:ASN19 4.7 49.1 1.0 H A:MET74 4.7 41.2 1.0 CB A:MET74 4.7 38.4 1.0 H A:VAL75 4.7 51.0 1.0 CB A:VAL18 4.7 41.1 1.0 CA A:ASP76 4.8 45.8 1.0 HB2 A:ASN17 4.8 76.0 1.0 HB3 A:ASP80 4.8 84.4 1.0 HD22 A:ASN17 4.9 0.1 1.0 HG13 A:VAL75 4.9 57.0 1.0 HB3 A:ASN17 4.9 76.0 1.0 NE2 A:HIS38 4.9 48.9 1.0 HA A:VAL18 4.9 54.4 1.0 CB A:VAL75 5.0 45.1 1.0

Calcium binding site 2 out of 5 in the Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:46.4 occ:1.00 O A:THR189 2.4 35.2 1.0 O A:HOH621 2.5 33.5 1.0 OG1 A:THR189 2.5 42.3 1.0 O A:HOH575 2.5 33.4 1.0 O A:HOH577 2.7 38.2 1.0 O A:HOH707 3.0 47.0 1.0 HG1 A:THR189 3.1 50.8 1.0 HB A:THR189 3.2 56.3 1.0 CB A:THR189 3.4 46.9 1.0 C A:THR189 3.4 35.5 1.0 CA A:THR189 4.0 41.7 1.0 O A:HOH758 4.1 60.1 1.0 O A:HOH671 4.1 54.6 1.0 OE1 A:GLU194 4.2 37.3 1.0 HA A:LEU190 4.2 45.5 1.0 OD2 A:ASP196 4.2 31.3 1.0 O A:LEU188 4.4 35.7 1.0 HD23 A:LEU190 4.5 47.8 1.0 N A:LEU190 4.5 32.0 1.0 HG1 A:THR207 4.6 41.4 1.0 HA A:THR189 4.6 50.0 1.0 CG2 A:THR189 4.7 47.7 1.0 HG21 A:THR189 4.7 57.3 1.0 OG1 A:THR207 4.7 34.5 1.0 OD1 A:ASP196 4.7 30.3 1.0 CA A:LEU190 4.9 37.9 1.0 CG A:ASP196 4.9 34.6 1.0 CD A:GLU194 5.0 42.3 1.0

Calcium binding site 3 out of 5 in the Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:44.4 occ:1.00 HG1 A:THR229 1.9 28.8 1.0 O A:HOH752 2.3 40.2 1.0 O A:THR277 2.4 38.8 1.0 OG1 A:THR277 2.4 40.9 1.0 OG1 A:THR229 2.5 24.0 1.0 OE2 A:GLU199 2.5 33.6 1.0 OE1 A:GLU199 2.5 31.8 1.0 O A:HOH699 2.7 57.0 1.0 CD A:GLU199 2.9 35.6 1.0 HG1 A:THR277 3.0 49.0 1.0 HA A:THR277 3.2 52.3 1.0 C A:THR277 3.2 42.7 1.0 H A:THR229 3.2 29.2 1.0 CA A:THR277 3.5 43.6 1.0 CB A:THR277 3.5 42.3 1.0 CB A:THR229 3.7 22.5 1.0 HB A:THR229 3.8 27.0 1.0 N A:THR229 3.9 24.3 1.0 O A:HOH795 3.9 46.9 1.0 O A:HOH522 4.1 34.9 1.0 O A:HOH712 4.1 42.4 1.0 HB A:THR277 4.1 50.7 1.0 HA A:SER228 4.3 29.4 1.0 CA A:THR229 4.4 24.6 1.0 HA A:ASP278 4.4 65.2 1.0 CG A:GLU199 4.4 26.5 1.0 N A:ASP278 4.4 42.7 1.0 HG23 A:THR277 4.4 49.8 1.0 HG3 A:MET202 4.4 36.4 1.0 O A:HOH746 4.5 52.2 1.0 CG2 A:THR277 4.6 41.5 1.0 O A:HOH570 4.6 37.5 1.0 HA A:THR229 4.6 29.6 1.0 O A:HOH806 4.6 61.6 1.0 HG3 A:GLU199 4.7 31.8 1.0 HG2 A:GLU199 4.8 31.8 1.0 HG21 A:THR229 4.8 33.8 1.0 CG2 A:THR229 4.8 28.2 1.0 O A:HOH794 4.8 45.7 1.0 O A:HOH639 4.9 22.6 1.0 C A:SER228 4.9 24.1 1.0 N A:THR277 4.9 42.0 1.0 CA A:ASP278 4.9 54.3 1.0 HG21 A:THR277 4.9 49.8 1.0

Calcium binding site 4 out of 5 in the Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:70.0 occ:1.00 O A:HOH720 2.2 56.1 1.0 O A:HOH685 2.3 64.2 1.0 O A:HOH681 2.4 60.4 1.0 O A:ASP210 2.4 30.5 1.0 O A:PRO212 2.5 29.0 1.0 OE2 A:GLU217 2.6 43.1 1.0 OE1 A:GLU217 3.0 74.5 1.0 CD A:GLU217 3.2 54.9 1.0 HA A:ASN213 3.2 34.7 1.0 HB3 A:ASP210 3.5 68.0 1.0 HD22 A:ASN213 3.5 33.0 1.0 C A:PRO212 3.6 31.6 1.0 C A:ASP210 3.6 32.5 1.0 HB2 A:ASP210 3.9 68.0 1.0 H A:SER214 4.0 35.0 1.0 CB A:ASP210 4.0 56.7 1.0 CA A:ASN213 4.1 28.9 1.0 HA A:LYS211 4.1 36.2 1.0 ND2 A:ASN213 4.2 27.5 1.0 N A:ASN213 4.3 27.9 1.0 O A:HOH539 4.4 62.6 1.0 C A:LYS211 4.4 33.7 1.0 HD21 A:ASN213 4.5 33.0 1.0 O A:HOH770 4.5 41.8 1.0 CA A:ASP210 4.5 41.9 1.0 N A:PRO212 4.5 28.4 1.0 O A:HOH760 4.5 54.9 1.0 N A:LYS211 4.5 29.7 1.0 CA A:LYS211 4.6 30.2 1.0 N A:SER214 4.6 29.2 1.0 O A:LYS211 4.7 37.6 1.0 CA A:PRO212 4.7 28.1 1.0 CG A:GLU217 4.7 40.5 1.0 HD2 A:PRO212 4.7 38.6 1.0 C A:ASN213 4.9 29.1 1.0 HA A:ASP210 5.0 50.3 1.0

Calcium binding site 5 out of 5 in the Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Recombinant Bovine Skeletal Calsequestrin, Low-CA2+ Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:85.1 occ:1.00 O A:HOH750 2.3 41.8 1.0 O A:PRO172 2.4 30.8 1.0 O A:HOH768 2.5 49.3 1.0 O A:HOH673 2.5 37.9 1.0 O A:HOH518 2.6 46.1 1.0 HB2 A:PRO172 3.5 38.7 1.0 C A:PRO172 3.6 30.4 1.0 HA A:TYR173 3.9 34.3 1.0 O A:HOH757 3.9 54.0 1.0 HD3 A:PRO175 4.1 35.4 1.0 O A:TYR173 4.3 26.5 1.0 CB A:PRO172 4.4 32.3 1.0 OD2 A:ASP121 4.4 40.7 1.0 HB3 A:ASP121 4.4 42.8 1.0 OD2 A:ASP145 4.4 48.0 1.0 CA A:TYR173 4.5 28.6 1.0 C A:TYR173 4.5 28.2 1.0 OE2 A:GLU236 4.5 56.4 1.0 N A:TYR173 4.5 29.5 1.0 HG2 A:PRO172 4.5 44.3 1.0 CA A:PRO172 4.6 26.9 1.0 OE1 A:GLU236 4.7 0.1 1.0 CG A:ASP121 4.8 42.2 1.0 HA A:PRO172 4.9 32.3 1.0 O A:HOH711 4.9 34.2 1.0 HB3 A:PRO175 4.9 35.5 1.0 O A:HOH787 4.9 53.8 1.0 CD A:PRO175 5.0 29.5 1.0

K.M.Lewis, G.R.Munske, S.S.Byrd, J.Kang, H.J.Cho, E.Rios, C.Kang. Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci V. 17 2016.
ISSN: ESSN 1422-0067
PubMed: 27649144
DOI: 10.3390/IJMS17091539