Calcium in PDB 3ar2: Calcium Pump Crystal Structure with Bound Amppcp and CA2+

All present enzymatic activity of Calcium Pump Crystal Structure with Bound Amppcp and CA2+:
3.6.3.8;

The structure of Calcium Pump Crystal Structure with Bound Amppcp and CA2+, PDB code: 3ar2 was solved by C.Toyoshima, S.Yonekura, J.Tsueda, S.Iwasawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.995, 75.306, 151.541, 90.00, 108.97, 90.00
R / Rfree (%)	24.7 / 27.2

The structure of Calcium Pump Crystal Structure with Bound Amppcp and CA2+ also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Calcium Pump Crystal Structure with Bound Amppcp and CA2+ (pdb code 3ar2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Calcium Pump Crystal Structure with Bound Amppcp and CA2+, PDB code: 3ar2:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Calcium Pump Crystal Structure with Bound Amppcp and CA2+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calcium Pump Crystal Structure with Bound Amppcp and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca995 b:88.0 occ:1.00 OG1 A:THR799 2.5 0.2 1.0 OE2 A:GLU771 2.5 0.4 1.0 O A:HOH3220 2.6 0.7 1.0 OD1 A:ASN768 2.6 0.8 1.0 OD1 A:ASP800 2.7 0.1 1.0 OE2 A:GLU908 2.8 0.4 1.0 OD2 A:ASP800 3.0 0.2 1.0 O A:HOH3401 3.0 0.5 1.0 CG A:ASP800 3.1 0.8 1.0 CB A:THR799 3.3 0.3 1.0 CD A:GLU771 3.6 0.7 1.0 CD A:GLU908 3.6 0.0 1.0 OE1 A:GLU908 3.6 0.1 1.0 CG A:ASN768 3.8 0.4 1.0 OE1 A:GLU771 3.9 0.4 1.0 C A:THR799 4.1 0.5 1.0 CB A:SER767 4.2 0.1 1.0 CA A:THR799 4.3 0.9 1.0 CG2 A:THR799 4.3 1.0 1.0 N A:ASP800 4.3 0.1 1.0 N A:ASN768 4.4 0.8 1.0 O A:THR799 4.4 0.5 1.0 CB A:ASP800 4.5 0.5 1.0 ND2 A:ASN768 4.5 0.2 1.0 O A:VAL795 4.5 0.2 1.0 CA A:ASN768 4.6 0.5 1.0 C A:SER767 4.8 0.1 1.0 CB A:ASN768 4.8 0.2 1.0 CA A:ASP800 4.8 0.5 1.0 O A:ALA305 4.9 0.4 1.0 CG A:GLU771 4.9 0.6 1.0 O A:ASN796 5.0 0.1 1.0

Calcium binding site 2 out of 3 in the Calcium Pump Crystal Structure with Bound Amppcp and CA2+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calcium Pump Crystal Structure with Bound Amppcp and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca996 b:85.1 occ:1.00 O A:ALA305 2.3 0.4 1.0 O A:ILE307 2.6 0.5 1.0 OD2 A:ASP800 2.6 0.2 1.0 OE2 A:GLU309 2.8 0.1 1.0 OD1 A:ASN796 2.8 0.8 1.0 O A:VAL304 2.9 0.2 1.0 OE1 A:GLU309 3.1 0.2 1.0 C A:ALA305 3.1 0.3 1.0 CD A:GLU309 3.2 0.1 1.0 CG A:ASP800 3.2 0.8 1.0 CB A:ASP800 3.5 0.5 1.0 ND2 A:ASN768 3.7 0.2 1.0 C A:ILE307 3.7 0.2 1.0 CA A:ALA305 3.8 0.7 1.0 O A:HOH3401 3.8 0.5 1.0 C A:VAL304 4.0 0.0 1.0 C A:ALA306 4.0 0.7 1.0 CG A:ASN796 4.0 0.1 1.0 N A:ALA306 4.1 0.8 1.0 OD1 A:ASP800 4.1 0.1 1.0 O A:ALA306 4.2 0.1 1.0 N A:ILE307 4.2 0.1 1.0 N A:ALA305 4.3 0.4 1.0 OD1 A:ASN768 4.4 0.8 1.0 CG A:ASN768 4.4 0.4 1.0 CA A:ALA306 4.5 0.8 1.0 CG A:GLU309 4.5 0.6 1.0 CA A:ILE307 4.5 0.3 1.0 N A:PRO308 4.6 0.1 1.0 CA A:PRO308 4.7 0.2 1.0 N A:GLU309 4.7 0.0 1.0 CB A:ASN796 4.9 0.7 1.0 ND2 A:ASN796 5.0 0.0 1.0

Calcium binding site 3 out of 3 in the Calcium Pump Crystal Structure with Bound Amppcp and CA2+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calcium Pump Crystal Structure with Bound Amppcp and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:67.1 occ:1.00 O A:HOH3100 2.1 40.0 1.0 OD1 A:ASP703 2.2 63.1 1.0 O A:THR353 2.4 61.4 1.0 O A:HOH3221 2.5 70.7 1.0 O3G A:ACP1002 2.7 48.4 1.0 OD2 A:ASP703 2.9 69.7 1.0 CG A:ASP703 2.9 68.7 1.0 OD1 A:ASP351 2.9 48.8 1.0 C A:THR353 3.5 59.0 1.0 CG A:ASP351 3.8 55.2 1.0 N A:GLY704 4.0 67.3 1.0 OD2 A:ASP351 4.1 54.8 1.0 CB A:THR353 4.1 54.7 1.0 PG A:ACP1002 4.1 60.7 1.0 CA A:THR353 4.2 54.9 1.0 CA A:GLY704 4.3 68.0 1.0 CB A:ASP703 4.4 67.5 1.0 C3B A:ACP1002 4.4 44.9 1.0 N A:GLY354 4.4 63.4 1.0 N A:THR353 4.6 53.4 1.0 O A:HOH5001 4.6 0.2 1.0 CA A:GLY354 4.6 67.2 1.0 OD2 A:ASP707 4.6 67.3 1.0 C A:ASP703 4.6 70.0 1.0 N A:ASP703 4.9 70.9 1.0 OG1 A:THR355 4.9 75.5 1.0 OD1 A:ASN706 4.9 76.3 1.0 CA A:ASP703 4.9 69.5 1.0 CG2 A:THR353 4.9 50.5 1.0

C.Toyoshima, S.Yonekura, J.Tsueda, S.Iwasawa. Trinitrophenyl Derivatives Bind Differently From Parent Adenine Nucleotides to CA2+-Atpase in the Absence of CA2+ Proc.Natl.Acad.Sci.Usa V. 108 1833 2011.
ISSN: ISSN 0027-8424
PubMed: 21239683
DOI: 10.1073/PNAS.1017659108