Calcium in PDB 3us3: Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex

The structure of Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex, PDB code: 3us3 was solved by E.J.Sanchez, K.M.Lewis, M.S.Nissen, G.R.Munske, C.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.91 / 1.74
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	59.214, 144.811, 110.471, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.2

The structure of Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex (pdb code 3us3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex, PDB code: 3us3:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca372 b:47.1 occ:1.00 OD1 A:ASN17 2.3 37.6 1.0 OD1 A:ASP80 2.4 27.9 1.0 O A:VAL18 2.5 27.6 1.0 O A:LEU74 2.5 24.9 1.0 O A:HOH490 3.0 38.2 1.0 N A:VAL18 3.2 25.6 1.0 CG A:ASP80 3.2 34.5 1.0 C A:VAL18 3.4 31.6 1.0 O A:HOH730 3.4 43.0 1.0 C A:LEU74 3.5 24.6 1.0 CG A:ASN17 3.5 50.6 1.0 C A:ASN17 3.7 29.8 1.0 OD2 A:ASP80 3.7 33.2 1.0 N A:ASP76 3.8 26.5 1.0 CA A:VAL75 3.8 22.1 1.0 CA A:VAL18 3.8 23.6 1.0 CA A:ASN17 3.9 26.5 1.0 N A:VAL75 4.1 20.8 1.0 C A:VAL75 4.3 28.9 1.0 CB A:ASN17 4.3 35.0 1.0 CB A:ASP80 4.4 28.9 1.0 O A:ASN17 4.4 29.7 1.0 N A:ASN19 4.4 28.2 1.0 ND2 A:ASN17 4.5 52.3 1.0 CB A:ASP76 4.5 35.3 1.0 CB A:VAL18 4.5 28.7 1.0 CB A:LEU74 4.6 22.1 1.0 CA A:LEU74 4.6 15.8 1.0 CA A:ASP76 4.8 25.8 1.0 CA A:ASN19 4.8 29.9 1.0 CB A:ASN19 4.9 31.2 1.0 CB A:VAL75 5.0 22.1 1.0

Calcium binding site 2 out of 4 in the Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca373 b:42.3 occ:1.00 OE2 A:GLU199 2.4 23.5 1.0 OG1 A:THR277 2.4 34.9 1.0 OE1 A:GLU199 2.4 26.0 1.0 OG1 A:THR229 2.5 22.4 1.0 O A:THR277 2.5 30.7 1.0 CD A:GLU199 2.7 30.7 1.0 O A:HOH756 3.0 48.8 1.0 C A:THR277 3.3 33.6 1.0 CB A:THR277 3.5 34.6 1.0 CA A:THR277 3.5 25.1 1.0 CB A:THR229 3.7 21.1 1.0 N A:THR229 4.0 17.8 1.0 O A:HOH487 4.1 31.7 1.0 O A:HOH744 4.1 41.5 1.0 O A:HOH552 4.2 34.5 1.0 CG A:GLU199 4.2 18.2 1.0 CA A:THR229 4.4 14.3 1.0 O A:HOH393 4.5 57.2 1.0 CG2 A:THR277 4.5 30.9 1.0 O A:HOH540 4.6 35.7 1.0 N A:ASP278 4.6 30.9 1.0 O A:HOH689 4.8 42.4 1.0 CG2 A:THR229 4.8 22.2 1.0 O A:HOH440 4.9 18.9 1.0 N A:THR277 4.9 24.1 1.0 C A:SER228 4.9 19.8 1.0

Calcium binding site 3 out of 4 in the Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca374 b:53.1 occ:1.00 O A:ASP210 2.4 27.0 1.0 O A:PRO212 2.4 27.7 1.0 OE2 A:GLU217 2.5 31.8 1.0 O A:HOH391 2.5 53.4 1.0 OE1 A:GLU217 3.0 40.8 1.0 CD A:GLU217 3.1 42.0 1.0 C A:PRO212 3.5 27.1 1.0 C A:ASP210 3.6 26.6 1.0 CA A:ASN213 4.0 23.0 1.0 O A:HOH608 4.0 51.6 1.0 ND2 A:ASN213 4.1 20.8 1.0 CB A:ASP210 4.1 31.1 1.0 N A:ASN213 4.2 20.7 1.0 O A:HOH736 4.3 47.5 1.0 C A:LYS211 4.4 28.3 1.0 N A:PRO212 4.4 22.2 1.0 CA A:LYS211 4.5 20.9 1.0 N A:SER214 4.5 21.5 1.0 N A:LYS211 4.5 22.7 1.0 CA A:ASP210 4.5 29.2 1.0 CG A:GLU217 4.6 29.6 1.0 CA A:PRO212 4.6 21.5 1.0 C A:ASN213 4.7 22.7 1.0 O A:HOH541 4.7 34.2 1.0 O A:LYS211 4.8 30.5 1.0 CG A:ASN213 4.9 21.5 1.0 CB A:ASN213 4.9 21.1 1.0

Calcium binding site 4 out of 4 in the Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Recombinant Rabbit Skeletal Calsequestrin-Mpd Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca375 b:63.2 occ:1.00 O A:THR189 2.3 30.5 1.0 O A:HOH684 2.4 52.3 1.0 O A:HOH565 2.4 44.0 1.0 OG1 A:THR189 2.5 33.9 1.0 O A:HOH474 2.6 32.0 1.0 O A:HOH801 3.1 39.3 1.0 CB A:THR189 3.2 34.7 1.0 C A:THR189 3.3 27.6 1.0 O A:HOH673 3.7 39.0 1.0 CA A:THR189 3.8 24.6 1.0 OD2 A:ASP196 4.0 25.5 1.0 O A:HOH677 4.1 52.2 1.0 O A:LEU188 4.2 28.8 1.0 O A:HOH669 4.3 40.5 1.0 N A:LEU190 4.3 21.9 1.0 OE1 A:GLU194 4.4 24.6 1.0 CG2 A:THR189 4.5 38.7 1.0 OD1 A:ASP196 4.7 24.1 1.0 CA A:LEU190 4.7 25.9 1.0 CG A:ASP196 4.8 26.8 1.0 N A:THR189 4.9 25.5 1.0 OG1 A:THR207 5.0 25.4 1.0 C A:LEU188 5.0 33.2 1.0

E.J.Sanchez, K.M.Lewis, G.R.Munske, M.S.Nissen, C.Kang. Glycosylation of Skeletal Calsequestrin: Implications For Its Function. J.Biol.Chem. V. 287 3042 2012.
ISSN: ISSN 0021-9258
PubMed: 22170046
DOI: 10.1074/JBC.M111.326363