Chlorine 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:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex (pdb code 2xb6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex, PDB code: 2xb6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1609 b:46.9 occ:1.00 CA A:ARG583 3.5 18.8 1.0 C A:ARG583 3.6 18.6 1.0 N A:THR585 3.6 17.9 1.0 CB A:THR585 3.7 18.6 1.0 N A:LYS586 3.8 18.8 1.0 CG A:LYS586 3.9 18.8 1.0 N A:ALA584 4.0 17.8 1.0 O A:ARG583 4.0 20.0 1.0 OG1 A:THR585 4.1 17.4 1.0 CA A:THR585 4.1 18.2 1.0 CB A:ARG583 4.1 19.0 1.0 C A:THR585 4.4 18.7 1.0 CB A:LYS586 4.5 19.0 1.0 N A:ARG583 4.6 18.5 1.0 C A:ALA584 4.6 17.8 1.0 NZ A:LYS586 4.6 25.6 1.0 CG A:ARG583 4.7 19.9 1.0 CA A:LYS586 4.8 19.0 1.0 CA A:ALA584 4.9 17.7 1.0 CG2 A:THR585 4.9 17.0 1.0 CD A:LYS586 5.0 21.9 1.0

Chlorine binding site 2 out of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1610 b:68.9 occ:1.00 NZ A:LYS586 3.3 25.6 1.0 O A:HOH2120 3.3 11.8 1.0 O A:MET423 3.5 21.3 1.0 CE A:LYS586 3.9 25.1 1.0 O A:THR425 4.0 21.7 1.0 O A:HOH2075 4.2 23.2 1.0 C A:THR425 4.2 21.4 1.0 CA A:TYR424 4.3 20.6 1.0 C A:TYR424 4.3 20.9 1.0 N A:THR425 4.4 21.0 1.0 CG2 A:THR439 4.4 18.6 1.0 N A:ASP426 4.5 21.6 1.0 C A:MET423 4.6 21.0 1.0 CA A:ASP426 4.7 22.1 1.0 O A:TYR424 4.8 21.5 1.0 CA A:THR425 4.9 20.6 1.0 N A:TYR424 5.0 20.7 1.0

Chlorine binding site 3 out of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1613 b:49.0 occ:1.00 N B:THR585 3.5 17.9 1.0 CA B:ARG583 3.5 18.8 1.0 CB B:THR585 3.6 18.5 1.0 C B:ARG583 3.6 18.6 1.0 N B:LYS586 3.7 18.9 1.0 CG B:LYS586 3.8 19.3 1.0 O B:HOH2154 3.9 49.1 1.0 OG1 B:THR585 3.9 17.1 1.0 N B:ALA584 3.9 17.8 1.0 CA B:THR585 4.0 18.2 1.0 O B:ARG583 4.1 19.7 1.0 CB B:ARG583 4.2 18.9 1.0 C B:THR585 4.3 18.6 1.0 CB B:LYS586 4.4 18.9 1.0 C B:ALA584 4.6 17.9 1.0 NZ B:LYS586 4.6 25.4 1.0 N B:ARG583 4.6 18.3 1.0 CA B:LYS586 4.6 18.9 1.0 CG B:ARG583 4.8 19.9 1.0 CG2 B:THR585 4.9 17.0 1.0 CA B:ALA584 4.9 17.8 1.0 CD B:LYS586 4.9 21.7 1.0

Chlorine binding site 4 out of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1614 b:60.7 occ:1.00 O B:HOH2151 3.3 15.1 1.0 NZ B:LYS586 3.4 25.4 1.0 O B:MET423 3.5 21.4 1.0 O B:HOH2117 3.9 28.4 1.0 CE B:LYS586 4.0 24.9 1.0 O B:THR425 4.1 21.5 1.0 C B:THR425 4.2 21.4 1.0 CA B:TYR424 4.2 20.5 1.0 C B:TYR424 4.2 21.0 1.0 N B:THR425 4.3 21.1 1.0 N B:ASP426 4.3 21.6 1.0 CG2 B:THR439 4.4 18.6 1.0 CA B:ASP426 4.6 22.0 1.0 C B:MET423 4.6 21.1 1.0 O B:TYR424 4.7 21.2 1.0 CA B:THR425 4.8 20.9 1.0 O A:HOH2121 4.9 14.2 1.0 N B:TYR424 4.9 20.6 1.0

Chlorine binding site 5 out of 5 in the Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Revisited Crystal Structure of NEUREXIN1BETA-NEUROLIGIN4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1615 b:82.9 occ:1.00 OE2 B:GLU592 3.2 36.8 1.0 O B:HOH2130 3.6 23.2 1.0 NZ A:LYS430 4.1 27.9 1.0 CD B:GLU592 4.4 34.4 1.0 CA B:ALA588 4.4 18.1 1.0 O B:HOH2131 4.6 28.9 1.0 CB B:ALA588 4.6 17.4 1.0 CB B:LEU591 4.8 22.6 1.0 CZ3 A:TRP427 4.8 17.5 1.0 CD1 B:LEU591 4.8 21.4 1.0 CE3 A:TRP427 4.8 18.2 1.0 O B:HOH2058 4.9 36.0 1.0 CG1 B:VAL587 4.9 15.8 1.0 N B:ALA588 4.9 18.0 1.0 CE A:LYS430 4.9 26.0 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