Calcium in PDB 1n7s: High Resolution Structure of A Truncated Neuronal Snare Complex

The structure of High Resolution Structure of A Truncated Neuronal Snare Complex, PDB code: 1n7s was solved by J.A.Ernst, A.T.Brunger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.13 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.767, 51.750, 132.938, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 22.4

The binding sites of Calcium atom in the High Resolution Structure of A Truncated Neuronal Snare Complex (pdb code 1n7s). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the High Resolution Structure of A Truncated Neuronal Snare Complex, PDB code: 1n7s:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the High Resolution Structure of A Truncated Neuronal Snare Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High Resolution Structure of A Truncated Neuronal Snare Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:20.0 occ:1.00 O A:TYR88 2.2 22.8 1.0 O A:HOH554 2.3 26.0 1.0 O B:HOH285 2.3 19.5 1.0 O A:HOH527 2.4 20.3 1.0 O B:LYS256 2.4 26.4 1.0 C B:LYS256 3.3 34.3 1.0 C A:TYR88 3.4 20.6 1.0 OXT B:LYS256 3.6 34.2 1.0 O B:ALA254 4.0 21.5 1.0 CA A:TRP89 4.2 21.7 1.0 O A:TRP89 4.2 27.6 1.0 N A:TRP89 4.3 18.9 1.0 CA A:TYR88 4.4 21.3 1.0 CB A:TYR88 4.4 21.4 1.0 CA B:LYS256 4.6 34.2 1.0 O A:HOH512 4.6 25.9 1.0 N B:LYS256 4.6 30.1 1.0 O2 C:MPD401 4.7 28.0 1.0 C A:TRP89 4.7 23.2 1.0 CM C:MPD401 4.8 24.8 1.0 C B:VAL255 4.9 27.0 1.0 C B:ALA254 4.9 18.9 1.0

Calcium binding site 2 out of 3 in the High Resolution Structure of A Truncated Neuronal Snare Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High Resolution Structure of A Truncated Neuronal Snare Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca502 b:19.0 occ:1.00 OE2 C:GLU27 2.3 22.6 1.0 O C:HOH504 2.4 21.3 1.0 O C:HOH553 2.4 21.8 1.0 O C:HOH554 2.5 24.3 1.0 CD C:GLU27 3.5 25.5 1.0 O C:HOH517 3.8 28.7 1.0 CA C:CA503 3.9 26.4 1.0 CG C:GLU27 4.1 18.8 1.0 OD2 C:ASP23 4.1 27.9 1.0 O C:HOH584 4.3 50.5 1.0 O C:HOH544 4.4 39.7 1.0 OD1 C:ASP23 4.4 29.5 1.0 OE1 C:GLU27 4.5 27.4 1.0 O C:HOH511 4.5 25.3 1.0 CG C:ASP23 4.7 24.8 1.0 NH1 C:ARG30 4.9 23.7 1.0

Calcium binding site 3 out of 3 in the High Resolution Structure of A Truncated Neuronal Snare Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of High Resolution Structure of A Truncated Neuronal Snare Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:26.4 occ:1.00 O C:HOH531 2.4 34.6 1.0 O C:HOH567 2.5 42.8 1.0 OE2 C:GLU27 2.5 22.6 1.0 OE1 C:GLU27 2.5 27.4 1.0 O C:HOH517 2.6 28.7 1.0 CD C:GLU27 2.8 25.5 1.0 O C:HOH544 3.2 39.7 1.0 CA C:CA502 3.9 19.0 1.0 O C:HOH504 4.1 21.3 1.0 O C:HOH513 4.3 23.2 1.0 CG C:GLU27 4.4 18.8 1.0 O C:HOH554 4.5 24.3 1.0 OD2 C:ASP23 4.5 27.9 1.0 O C:HOH565 4.6 44.3 1.0 O C:HOH539 4.7 34.0 1.0 O C:HOH578 4.7 41.4 1.0

J.A.Ernst, A.T.Brunger. High Resolution Structure, Stability, and Synaptotagmin Binding of A Truncated Neuronal Snare Complex J.Biol.Chem. V. 278 8630 2003.
ISSN: ISSN 0021-9258
PubMed: 12496247
DOI: 10.1074/JBC.M211889200