Calcium in PDB 3uom: CA2+ Complex of Human Skeletal Calsequestrin

The structure of CA2+ Complex of Human Skeletal Calsequestrin, PDB code: 3uom was solved by E.J.Sanchez, K.M.Lewis, B.R.Danna, M.S.Nissen, C.H.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.90 / 2.02
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	89.799, 89.793, 119.161, 90.13, 89.90, 60.05
R / Rfree (%)	18.2 / 21.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 87;

Binding sites:

The binding sites of Calcium atom in the CA2+ Complex of Human Skeletal Calsequestrin (pdb code 3uom). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 87 binding sites of Calcium where determined in the CA2+ Complex of Human Skeletal Calsequestrin, PDB code: 3uom:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 87 in the CA2+ Complex of 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 CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:51.2 occ:1.00 OG A:SER308 2.4 46.0 1.0 OD1 A:ASP306 2.4 34.1 1.0 O A:HOH659 2.5 44.9 1.0 OD2 A:ASP306 2.6 54.0 1.0 O A:HOH617 2.8 48.2 1.0 CG A:ASP306 2.9 37.5 1.0 O B:HOH577 2.9 45.5 1.0 CB A:SER308 3.4 32.9 1.0 N A:SER308 4.3 24.2 1.0 CB A:ASP306 4.3 32.5 1.0 OE2 A:GLU300 4.3 38.0 1.0 CA A:SER308 4.5 31.0 1.0 NZ B:LYS68 4.6 37.2 1.0 O B:HOH530 4.6 36.3 1.0 CA A:ASP306 4.9 26.9 1.0

Calcium binding site 2 out of 87 in the CA2+ Complex of 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 CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca409 b:57.3 occ:1.00 O A:HOH551 2.2 44.6 1.0 OE2 B:GLU128 2.4 57.7 1.0 OD2 A:ASP261 2.5 49.2 1.0 OE1 B:GLU128 2.5 51.7 1.0 CD B:GLU128 2.6 53.0 1.0 OD2 A:ASP259 2.6 47.7 1.0 O A:HOH652 2.9 48.8 1.0 OD1 A:ASP259 3.1 54.1 1.0 CG A:ASP259 3.2 44.6 1.0 CG A:ASP261 3.5 43.3 1.0 CG B:GLU128 3.8 48.7 1.0 CB A:ASP261 3.8 30.8 1.0 O A:HOH570 3.8 40.9 1.0 CA B:CA408 4.1 50.4 1.0 O A:SER308 4.4 25.9 1.0 N A:ASP261 4.5 25.2 1.0 OD1 A:ASP261 4.6 53.0 1.0 CB A:ASP259 4.7 31.4 1.0 O B:HOH666 4.7 51.6 1.0 CA A:ASP261 4.8 27.0 1.0 CB B:GLU128 4.8 37.3 1.0 O B:HOH555 4.9 43.7 1.0

Calcium binding site 3 out of 87 in the CA2+ Complex of 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 CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca410 b:56.3 occ:1.00 O A:HOH645 2.2 35.9 1.0 OD2 B:ASP113 2.3 31.1 1.0 O A:HOH601 2.3 37.2 1.0 OD2 A:ASP113 2.5 34.6 1.0 OD1 A:ASP113 2.5 26.8 1.0 CG A:ASP113 2.9 29.8 1.0 O B:HOH563 2.9 38.1 1.0 O A:HOH698 3.2 64.9 1.0 CG B:ASP113 3.4 30.5 1.0 OE1 A:GLU109 3.8 34.6 1.0 OG A:SER111 3.8 63.5 1.0 CB B:ASP113 4.0 25.9 1.0 OG1 A:THR114 4.3 33.7 1.0 O A:HOH519 4.3 30.8 1.0 OD1 B:ASP113 4.4 29.1 1.0 CB A:ASP113 4.4 25.2 1.0 O A:HOH612 4.5 17.7 1.0 O B:HOH525 4.6 28.7 1.0 CB A:SER111 4.6 39.9 1.0 O A:HOH569 4.6 32.4 1.0 CD A:GLU109 4.9 46.6 1.0

Calcium binding site 4 out of 87 in the CA2+ Complex of 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 CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca411 b:41.0 occ:1.00 OD1 A:ASP245 2.3 46.2 1.0 O A:ILE249 2.4 29.3 1.0 OD1 A:ASP247 2.4 40.3 1.0 OD2 A:ASP245 2.4 43.8 1.0 O A:HOH638 2.5 49.0 1.0 O A:HOH585 2.6 46.0 1.0 CG A:ASP245 2.7 48.0 1.0 O A:HOH564 2.8 41.6 1.0 CG A:ASP247 3.4 47.9 1.0 C A:ILE249 3.5 32.2 1.0 OD2 A:ASP247 3.7 44.8 1.0 N A:ILE249 4.0 34.7 1.0 CA A:ILE249 4.2 34.7 1.0 CB A:ASP245 4.2 45.6 1.0 N A:ASP247 4.3 47.8 1.0 NH2 A:ARG227 4.3 54.7 1.0 CB A:ILE249 4.4 34.9 1.0 N A:HIS250 4.6 25.5 1.0 CB A:ASP247 4.6 48.5 1.0 N A:MET246 4.7 53.3 1.0 O A:HOH588 4.7 43.0 1.0 N A:GLY248 4.7 45.0 1.0 O A:HOH510 4.7 37.3 1.0 CA A:ASP247 4.8 41.1 1.0 CA A:ASP245 4.9 56.5 1.0 CA A:HIS250 4.9 28.0 1.0 O A:HOH628 4.9 39.0 1.0 C A:ASP245 4.9 49.5 1.0 C A:ASP247 5.0 40.6 1.0

Calcium binding site 5 out of 87 in the CA2+ Complex of Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca412 b:60.1 occ:1.00 O A:VAL103 2.3 40.1 1.0 OE2 A:GLU102 2.5 40.9 0.5 O A:HOH595 2.7 46.4 1.0 O A:HOH697 2.7 63.8 1.0 O A:HOH577 2.8 48.3 1.0 C A:VAL103 3.5 38.5 1.0 CD A:GLU102 3.6 46.9 0.5 O A:HOH598 4.2 49.5 1.0 OE1 A:GLU102 4.2 41.2 0.5 N A:VAL103 4.3 34.8 1.0 O A:HOH576 4.4 36.8 1.0 CA A:ILE104 4.4 36.2 1.0 CA A:VAL103 4.4 38.6 1.0 N A:ILE104 4.4 35.5 1.0 CG A:GLU102 4.6 44.4 0.5 CB A:VAL103 4.7 39.4 1.0 CG1 A:ILE104 4.8 41.5 1.0 O A:GLU169 4.8 29.0 1.0 OE1 A:GLU169 4.8 55.8 1.0

Calcium binding site 6 out of 87 in the CA2+ Complex of Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca413 b:61.4 occ:1.00 OD1 A:ASP261 2.5 53.0 1.0 O B:HOH680 2.5 71.7 1.0 OE1 A:GLU264 3.0 31.6 1.0 OD1 A:ASP332 3.2 40.5 1.0 OE1 B:GLU135 3.4 34.0 1.0 CD B:GLU135 3.6 34.4 1.0 CG A:ASP261 3.8 43.3 1.0 CG A:LEU333 3.9 31.8 1.0 CD A:GLU264 3.9 33.7 1.0 OE2 B:GLU135 4.1 41.5 1.0 O B:HOH613 4.1 38.0 1.0 CG B:GLU135 4.1 32.4 1.0 OE2 A:GLU264 4.2 33.3 1.0 N A:LEU333 4.2 32.3 1.0 CB B:GLU135 4.2 31.5 1.0 CA A:ASP332 4.4 43.0 1.0 CG A:ASP332 4.4 49.4 1.0 CD1 A:LEU333 4.4 30.8 1.0 CD2 A:LEU333 4.5 31.7 1.0 CB A:ASP261 4.5 30.8 1.0 OD2 A:ASP261 4.7 49.2 1.0 CA A:ASP261 4.7 27.0 1.0 C A:ASP332 4.7 37.9 1.0 O A:GLU331 4.7 41.3 1.0 CA B:CA408 4.8 50.4 1.0 CB A:LEU333 4.9 27.6 1.0 O B:HOH554 4.9 32.5 1.0 CB A:ASP332 5.0 37.5 1.0

Calcium binding site 7 out of 87 in the CA2+ Complex of Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca414 b:61.2 occ:1.00 O A:VAL18 2.4 49.0 1.0 OD2 A:ASP80 2.4 59.0 1.0 OD1 A:ASP80 2.4 67.1 1.0 O A:HOH695 2.4 80.0 1.0 OD1 A:ASN17 2.4 61.3 1.0 CG A:ASP80 2.7 65.2 1.0 CG A:ASN17 3.4 64.6 1.0 C A:VAL18 3.6 51.7 1.0 ND2 A:ASN17 3.9 63.8 1.0 N A:VAL18 4.0 48.8 1.0 CB A:ASP80 4.2 64.6 1.0 C A:ASN17 4.4 55.4 1.0 CA A:VAL18 4.4 57.1 1.0 O A:LEU74 4.5 53.7 1.0 N A:ASN19 4.5 56.3 1.0 CB A:ASN19 4.6 53.3 1.0 CB A:ASP76 4.6 72.3 1.0 N A:ASP76 4.6 60.2 1.0 CB A:ASN17 4.7 55.6 1.0 CA A:ASN19 4.7 62.3 1.0 CA A:ASN17 4.8 54.8 1.0 O A:ASN17 4.9 60.6 1.0

Calcium binding site 8 out of 87 in the CA2+ Complex of Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca415 b:57.3 occ:1.00 O A:HOH615 2.2 52.8 1.0 O A:HOH696 2.2 56.0 1.0 O A:THR189 2.4 42.0 1.0 OG1 A:THR189 2.6 49.5 1.0 O A:HOH535 2.6 47.5 1.0 O A:HOH508 2.7 45.0 1.0 O A:HOH675 2.8 52.6 1.0 C A:THR189 3.4 47.1 1.0 CB A:THR189 3.4 50.3 1.0 OE1 A:GLU194 3.6 41.0 1.0 CA A:THR189 4.1 42.4 1.0 OG1 A:THR207 4.2 39.7 1.0 OD2 A:ASP196 4.4 37.9 1.0 O A:LEU188 4.4 41.6 1.0 N A:LEU190 4.4 40.4 1.0 CD A:GLU194 4.6 52.4 1.0 CA A:LEU190 4.7 40.7 1.0 OD1 A:ASP196 4.7 35.4 1.0 CG2 A:THR189 4.8 55.5 1.0

Calcium binding site 9 out of 87 in the CA2+ Complex of Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca416 b:37.0 occ:1.00 O A:HOH649 2.3 33.8 1.0 O A:ASP210 2.3 34.0 1.0 OD2 A:ASP210 2.4 43.6 1.0 OE2 A:GLU217 2.5 42.6 1.0 OE1 A:GLU217 2.5 34.0 1.0 O A:PRO212 2.6 31.4 1.0 CD A:GLU217 2.9 30.2 1.0 CG A:ASP210 3.4 49.5 1.0 C A:ASP210 3.5 36.0 1.0 C A:PRO212 3.7 34.7 1.0 CB A:ASP210 3.9 36.4 1.0 CA A:ASN213 4.3 29.1 1.0 CA A:ASP210 4.4 35.1 1.0 CG A:GLU217 4.4 31.7 1.0 ND2 A:ASN213 4.4 27.9 1.0 C A:LYS211 4.4 39.8 1.0 N A:PRO212 4.5 36.6 1.0 OD1 A:ASP210 4.5 57.6 1.0 N A:ASN213 4.5 28.4 1.0 N A:LYS211 4.5 33.7 1.0 CA A:LYS211 4.6 36.6 1.0 O A:LYS211 4.7 37.4 1.0 CA A:PRO212 4.7 33.0 1.0 N A:SER214 4.7 28.5 1.0 O A:HOH607 4.8 34.5 1.0 C A:ASN213 5.0 32.1 1.0

Calcium binding site 10 out of 87 in the CA2+ Complex of Human Skeletal Calsequestrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of CA2+ Complex of Human Skeletal Calsequestrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca417 b:30.0 occ:1.00 O A:HOH502 2.1 34.8 1.0 OG1 A:THR229 2.3 26.4 1.0 OE2 A:GLU199 2.4 29.7 1.0 OE1 A:GLU199 2.4 29.8 1.0 O A:HOH506 2.4 31.8 1.0 O A:HOH532 2.5 30.1 1.0 O A:HOH559 2.5 37.6 1.0 CD A:GLU199 2.7 27.0 1.0 CB A:THR229 3.5 25.9 1.0 N A:THR229 4.2 25.1 1.0 CG A:GLU199 4.3 24.1 1.0 O A:HOH537 4.4 32.4 1.0 CA A:THR277 4.4 43.9 1.0 CA A:THR229 4.4 23.6 1.0 O A:ASN276 4.5 36.7 1.0 O A:HOH640 4.6 44.4 1.0 CG2 A:THR229 4.6 25.2 1.0 O A:HOH642 4.6 54.0 1.0 O A:HOH511 4.6 33.0 1.0 O A:THR277 4.6 45.9 1.0 CE A:MET202 4.7 36.0 1.0 C A:THR277 4.8 50.2 1.0 O A:HOH548 4.8 43.3 1.0 O A:HOH501 4.9 24.5 1.0 O A:ALA273 5.0 29.1 1.0

E.J.Sanchez, K.M.Lewis, B.R.Danna, C.Kang. High-Capacity CA2+ Binding of Human Skeletal Calsequestrin. J.Biol.Chem. V. 287 11592 2012.
ISSN: ISSN 0021-9258
PubMed: 22337878
DOI: 10.1074/JBC.M111.335075