Calcium in PDB 1tjx: Crystallographic Identification of CA2+ Coordination Sites in Synaptotagmin I C2B Domain

The structure of Crystallographic Identification of CA2+ Coordination Sites in Synaptotagmin I C2B Domain, PDB code: 1tjx was solved by Y.Cheng, S.M.Sequeira, L.Malinina, V.Tereshko, T.H.Sollner, D.J.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.50 / 1.04
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.550, 54.550, 103.590, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 18.4

The binding sites of Calcium atom in the Crystallographic Identification of CA2+ Coordination Sites in Synaptotagmin I C2B Domain (pdb code 1tjx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystallographic Identification of CA2+ Coordination Sites in Synaptotagmin I C2B Domain, PDB code: 1tjx:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystallographic Identification of CA2+ Coordination Sites in Synaptotagmin I C2B Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystallographic Identification of CA2+ Coordination Sites in Synaptotagmin I C2B Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1419 b:20.0 occ:1.00 H1 A:HOH36 1.4 27.8 0.0 H2 A:HOH37 1.9 27.8 0.0 H1 A:HOH107 2.2 20.2 0.0 O A:HOH36 2.3 28.3 1.0 O A:HOH107 2.4 19.9 1.0 OD1 A:ASP363 2.4 16.2 1.0 OD1 A:ASP303 2.4 20.5 1.0 O A:HOH37 2.5 28.4 1.0 O A:MET302 2.5 19.2 1.0 H1 A:HOH37 2.6 27.8 0.0 OD2 A:ASP365 2.6 21.5 1.0 H2 A:HOH36 2.7 27.8 0.0 OD1 A:ASP365 2.7 19.4 1.0 CG A:ASP365 3.1 18.1 1.0 H2 A:HOH107 3.3 20.2 0.0 C A:MET302 3.5 18.2 1.0 HA A:ASP303 3.5 20.0 1.0 HB3 A:MET302 3.6 16.7 1.0 CG A:ASP363 3.6 13.1 1.0 CG A:ASP303 3.7 20.8 1.0 CA A:CA1420 3.7 20.0 1.0 O A:HOH121 3.8 17.1 1.0 H1 A:HOH121 3.9 17.3 0.0 CA A:ASP303 4.2 19.8 1.0 HB2 A:MET302 4.2 16.7 1.0 H2 A:HOH109 4.2 23.4 0.0 N A:ASP303 4.2 18.6 1.0 CB A:MET302 4.2 16.4 1.0 HB3 A:ASP363 4.3 11.3 1.0 OD2 A:ASP363 4.3 16.1 1.0 OD2 A:ASP303 4.5 22.6 1.0 CB A:ASP303 4.5 20.3 1.0 CA A:MET302 4.5 16.8 1.0 CB A:ASP363 4.6 12.2 1.0 CB A:ASP365 4.6 15.4 1.0 H2 A:HOH121 4.7 17.3 0.0 O A:HOH109 4.7 23.1 1.0 OD2 A:ASP371 4.8 27.6 1.0 HA A:MET302 4.9 17.0 1.0 HB3 A:ASP303 4.9 20.1 1.0 HE3 A:MET302 4.9 13.3 0.5 HB2 A:ASP363 5.0 11.3 1.0 HB3 A:ASP365 5.0 15.0 1.0 HB2 A:ASP365 5.0 15.0 1.0

Calcium binding site 2 out of 2 in the Crystallographic Identification of CA2+ Coordination Sites in Synaptotagmin I C2B Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystallographic Identification of CA2+ Coordination Sites in Synaptotagmin I C2B Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1420 b:20.0 occ:1.00 H2 A:HOH109 1.8 23.4 0.0 O A:TYR364 2.4 12.4 1.0 O A:HOH109 2.4 23.1 1.0 OD2 A:ASP363 2.5 16.1 1.0 OD1 A:ASP365 2.5 19.4 1.0 OD1 A:ASP309 2.5 18.7 1.0 OD1 A:ASP303 2.5 20.5 1.0 OD2 A:ASP303 2.6 22.6 1.0 OD1 A:ASP363 2.7 16.2 1.0 H1 A:HOH109 2.7 23.4 0.0 CG A:ASP363 2.9 13.1 1.0 CG A:ASP303 2.9 20.8 1.0 HB2 A:ASP309 3.3 13.4 1.0 C A:TYR364 3.5 12.0 1.0 CG A:ASP309 3.5 15.3 1.0 CG A:ASP365 3.6 18.1 1.0 HA A:ASP365 3.7 13.9 1.0 H A:ASP309 3.7 13.8 1.0 CA A:CA1419 3.7 20.0 1.0 H1 A:HOH37 3.8 27.8 0.0 CB A:ASP309 3.9 14.0 1.0 H2 A:HOH38 3.9 39.5 0.0 N A:ASP309 4.2 14.3 1.0 N A:ASP365 4.2 12.9 1.0 HA A:SER308 4.3 14.8 1.0 CA A:ASP365 4.3 14.4 1.0 OD2 A:ASP365 4.4 21.5 1.0 CB A:ASP363 4.4 12.2 1.0 N A:TYR364 4.4 10.5 1.0 H1 A:HOH107 4.4 20.2 0.0 CB A:ASP303 4.5 20.3 1.0 H2 A:HOH110 4.5 27.8 0.0 O A:HOH38 4.5 39.4 1.0 CB A:ASP365 4.6 15.4 1.0 C A:ASP363 4.6 10.3 1.0 H A:TYR364 4.6 10.5 1.0 CA A:TYR364 4.6 11.0 1.0 O A:HOH37 4.6 28.4 1.0 H2 A:HOH37 4.6 27.8 0.0 HB3 A:ASP309 4.6 13.4 1.0 OD2 A:ASP309 4.7 17.4 1.0 CA A:ASP309 4.7 12.7 1.0 H1 A:HOH121 4.7 17.3 0.0 O A:HOH110 4.7 26.9 1.0 HB3 A:ASP303 4.7 20.1 1.0 HB3 A:ASP363 4.8 11.3 1.0 HB2 A:ASP363 4.9 11.3 1.0 C A:SER308 4.9 13.8 1.0 HB2 A:ASP303 4.9 20.1 1.0 O A:ASP363 4.9 11.4 1.0 HB2 A:MET302 4.9 16.7 1.0 HA A:ASP363 4.9 10.6 1.0 HB3 A:TYR364 4.9 11.2 1.0 HD2 A:TYR364 4.9 15.2 1.0 CA A:ASP363 4.9 10.5 1.0 H1 A:HOH36 5.0 27.8 0.0

Y.Cheng, S.M.Sequeira, L.Malinina, V.Tereshko, T.H.Sollner, D.J.Patel. Crystallographic Identification of CA2+ and SR2+ Coordination Sites in Synaptotagmin I C2B Domain. Protein Sci. V. 13 2665 2004.
ISSN: ISSN 0961-8368
PubMed: 15340165
DOI: 10.1110/PS.04832604