Calcium in PDB 3rk2: Truncated Snare Complex

The structure of Truncated Snare Complex, PDB code: 3rk2 was solved by D.Kuemmel, K.M.Reinisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.50 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	27.627, 39.769, 102.275, 83.38, 89.94, 89.87
R / Rfree (%)	22.7 / 26.8

The binding sites of Calcium atom in the Truncated Snare Complex (pdb code 3rk2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Truncated Snare Complex, PDB code: 3rk2:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Truncated Snare Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Truncated Snare Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:69.7 occ:1.00 OE2 G:GLU13 2.6 74.7 1.0 OD2 B:ASP231 2.7 67.7 1.0 O C:HOH92 2.7 10.6 1.0 OD1 B:ASP231 2.7 66.0 1.0 CG B:ASP231 3.1 64.7 1.0 OE1 C:GLU52 3.5 74.5 1.0 CD G:GLU13 3.5 73.2 1.0 CG G:GLU13 3.7 67.0 1.0 O B:GLY227 4.1 52.2 1.0 CD C:GLU52 4.2 68.2 1.0 OE1 C:GLN56 4.3 60.9 1.0 CA B:CA4 4.3 73.1 1.0 OE2 B:GLU228 4.4 80.2 1.0 NE2 C:GLN56 4.5 53.5 1.0 CB G:GLU13 4.5 66.2 1.0 CB B:ASP231 4.6 62.8 1.0 C B:GLY227 4.7 54.0 1.0 OE1 G:GLU13 4.7 78.2 1.0 CD C:GLN56 4.7 54.3 1.0 OE2 C:GLU52 4.8 67.6 1.0

Calcium binding site 2 out of 4 in the Truncated Snare Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Truncated Snare Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca4 b:73.1 occ:1.00 OD1 B:ASP231 2.6 66.0 1.0 OE2 G:GLU13 2.7 74.7 1.0 OE2 B:GLU228 2.9 80.2 1.0 OE1 B:GLU228 3.2 84.6 1.0 CD B:GLU228 3.4 79.0 1.0 CG B:ASP231 3.5 64.7 1.0 CD G:GLU13 3.5 73.2 1.0 OE1 G:GLU13 3.6 78.2 1.0 OE2 G:GLU10 3.6 88.4 1.0 OE1 G:GLU10 3.9 88.3 1.0 CB B:ASP231 4.0 62.8 1.0 CD G:GLU10 4.1 86.2 1.0 CA B:CA1 4.3 69.7 1.0 OD2 B:ASP231 4.5 67.7 1.0 CG B:GLU228 4.8 70.5 1.0 CG G:GLU13 5.0 67.0 1.0

Calcium binding site 3 out of 4 in the Truncated Snare Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Truncated Snare Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca2 b:64.3 occ:1.00 OE2 C:GLU13 2.7 70.3 1.0 CD C:GLU13 3.6 69.0 1.0 CG C:GLU13 3.7 63.2 1.0 CA C:CA84 4.4 67.7 1.0 CB C:GLU13 4.5 62.3 1.0 OE1 C:GLU13 4.7 74.4 1.0 OD1 C:ASN9 4.8 81.0 1.0

Calcium binding site 4 out of 4 in the Truncated Snare Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Truncated Snare Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca84 b:67.7 occ:1.00 OE2 C:GLU13 2.6 70.3 1.0 CD C:GLU13 3.4 69.0 1.0 OE1 C:GLU13 3.5 74.4 1.0 CA C:CA2 4.4 64.3 1.0 CG C:GLU13 4.9 63.2 1.0

D.Kummel, S.S.Krishnakumar, D.T.Radoff, F.Li, C.G.Giraudo, F.Pincet, J.E.Rothman, K.M.Reinisch. Complexin Cross-Links Prefusion Snares Into A Zigzag Array. Nat.Struct.Mol.Biol. V. 18 927 2011.
ISSN: ISSN 1545-9993
PubMed: 21785414
DOI: 10.1038/NSMB.2101