Calcium in PDB 2xb6: Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex

The structure of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex, PDB code: 2xb6 was solved by P.Leone, D.Comoletti, G.Ferracci, S.Conrod, S.U.Garcia, P.Taylor, Y.Bourne, P.Marchot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	136.307, 198.779, 85.896, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 23.6

The structure of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Calcium atom in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex (pdb code 2xb6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex, PDB code: 2xb6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1296 b:29.6 occ:1.00 O C:HOH2012 2.1 3.0 1.0 O C:ILE236 2.2 21.0 1.0 OD1 C:ASN238 2.3 22.6 1.0 OD2 C:ASP137 2.3 25.1 1.0 O C:VAL154 2.4 24.4 1.0 O A:HOH2060 2.5 11.5 1.0 CG C:ASP137 3.3 23.8 1.0 C C:VAL154 3.4 22.6 1.0 C C:ILE236 3.4 20.5 1.0 CG C:ASN238 3.5 19.0 1.0 OD1 C:ASP137 3.5 22.6 1.0 N C:ASN238 4.1 20.9 1.0 CA C:VAL154 4.1 21.9 1.0 N C:GLY155 4.3 22.9 1.0 CB C:VAL154 4.3 21.9 1.0 N C:PHE237 4.3 20.9 1.0 CA C:ILE236 4.3 20.6 1.0 ND2 C:ASN238 4.4 16.0 1.0 CA C:GLY155 4.4 22.6 1.0 CB C:ASN238 4.4 21.1 1.0 CA C:PHE237 4.4 21.2 1.0 CB C:ILE236 4.5 20.7 1.0 N C:ILE236 4.6 20.7 1.0 CB C:ASP137 4.7 23.9 1.0 C C:PHE237 4.8 21.0 1.0 OE1 A:GLU361 4.8 30.1 1.0 O A:GLY360 4.8 23.8 1.0 O A:GLN359 4.8 24.1 1.0 CG2 C:ILE236 4.9 19.1 1.0 CA C:ASN238 4.9 21.2 1.0

Calcium binding site 2 out of 2 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1289 b:32.9 occ:1.00 O D:HOH2006 2.0 15.8 1.0 O D:ILE236 2.3 21.6 1.0 O B:HOH2096 2.3 21.5 1.0 OD1 D:ASN238 2.3 23.2 1.0 OD2 D:ASP137 2.3 25.5 1.0 O D:VAL154 2.3 24.6 1.0 CG D:ASP137 3.2 23.9 1.0 C D:VAL154 3.4 22.4 1.0 OD1 D:ASP137 3.4 22.9 1.0 C D:ILE236 3.5 20.7 1.0 CG D:ASN238 3.5 19.3 1.0 N D:ASN238 4.1 21.1 1.0 CA D:VAL154 4.1 21.7 1.0 OE1 B:GLU361 4.1 30.4 1.0 N D:GLY155 4.3 22.7 1.0 ND2 D:ASN238 4.4 16.1 1.0 CB D:VAL154 4.4 21.8 1.0 N D:PHE237 4.4 21.1 1.0 CB D:ASN238 4.4 21.0 1.0 CA D:GLY155 4.4 22.8 1.0 CA D:ILE236 4.4 20.7 1.0 CA D:PHE237 4.5 21.2 1.0 O B:GLN359 4.5 24.4 1.0 CB D:ASP137 4.6 24.5 1.0 CB D:ILE236 4.6 20.7 1.0 O B:GLY360 4.7 24.3 1.0 N D:ILE236 4.7 20.7 1.0 C D:PHE237 4.7 21.0 1.0 CG2 D:ILE236 4.8 19.3 1.0 CA D:ASN238 4.9 21.2 1.0

P.Leone, D.Comoletti, G.Ferracci, S.Conrod, S.U.Garcia, P.Taylor, Y.Bourne, P.Marchot. Structural Insights Into the Exquisite Selectivity of Neurexin-Neuroligin Synaptic Interactions Embo J. V. 29 2461 2010.
ISSN: ISSN 0261-4189
PubMed: 20543817
DOI: 10.1038/EMBOJ.2010.123