Chlorine in PDB 4nzb: NS9283 Bound to Ls-Achbp

The structure of NS9283 Bound to Ls-Achbp, PDB code: 4nzb was solved by J.A.Olsen, J.S.Kastrup, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.24 / 2.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.726, 140.381, 119.545, 90.00, 89.98, 90.00
R / Rfree (%)	20.7 / 24

The binding sites of Chlorine atom in the NS9283 Bound to Ls-Achbp (pdb code 4nzb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the NS9283 Bound to Ls-Achbp, PDB code: 4nzb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the NS9283 Bound to Ls-Achbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of NS9283 Bound to Ls-Achbp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:86.1 occ:1.00 OG A:SER68 3.7 90.8 1.0 ND1 A:HIS69 4.0 93.8 1.0 CE1 A:HIS69 4.3 92.0 1.0 CB A:SER68 4.8 80.2 1.0 CG A:HIS69 4.9 90.2 1.0

Chlorine binding site 2 out of 4 in the NS9283 Bound to Ls-Achbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of NS9283 Bound to Ls-Achbp within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl302 b:69.2 occ:1.00 NE2 K:HIS146 3.3 48.0 1.0 OE2 K:GLU149 3.6 48.3 1.0 CE1 K:HIS146 4.0 50.4 1.0 NH2 L:ARG104 4.0 33.8 1.0 NH2 K:ARG148 4.2 77.5 1.0 N L:GLN73 4.4 46.8 1.0 OE2 K:GLU190 4.4 70.5 1.0 CD2 K:HIS146 4.5 49.9 1.0 CB L:GLN73 4.5 36.4 1.0 CD K:GLU149 4.5 47.6 1.0 N L:ASP72 4.6 45.9 1.0 O L:GLN73 4.6 44.0 1.0 NH2 L:ARG3 4.7 48.8 1.0 CG L:GLN73 4.8 34.9 1.0 CA L:GLN73 4.9 37.7 1.0 CB L:ASP72 4.9 43.5 1.0

Chlorine binding site 3 out of 4 in the NS9283 Bound to Ls-Achbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of NS9283 Bound to Ls-Achbp within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl301 b:60.9 occ:1.00 NE1 L:TRP82 3.1 41.7 1.0 NE2 L:HIS145 3.2 39.0 1.0 CD1 L:TRP82 3.8 37.9 1.0 CD1 M:LEU102 3.9 27.2 1.0 CE1 L:HIS145 4.1 38.4 1.0 CD2 L:HIS145 4.2 39.3 1.0 CE2 L:TRP82 4.2 37.6 1.0 CB M:SER75 4.4 37.3 1.0 O L:ASP17 4.5 43.9 1.0 CZ2 L:TRP82 4.6 36.2 1.0 O L:VAL83 4.7 32.4 1.0 CD2 M:LEU102 4.9 33.2 1.0 O M:SER75 5.0 33.1 1.0 C L:ASP17 5.0 41.1 1.0 CB L:ILE19 5.0 39.4 1.0

Chlorine binding site 4 out of 4 in the NS9283 Bound to Ls-Achbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of NS9283 Bound to Ls-Achbp within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl301 b:54.3 occ:1.00 N N:GLN101 3.3 44.8 1.0 CB N:GLN101 3.9 44.2 1.0 CG N:GLN101 4.0 44.3 1.0 CA N:PRO100 4.1 46.5 1.0 CA N:GLN101 4.2 44.2 1.0 C N:PRO100 4.2 50.0 1.0 CB N:PRO100 4.8 45.8 1.0 C N:GLN101 4.9 42.6 1.0

J.A.Olsen, P.K.Ahring, J.S.Kastrup, M.Gajhede, T.Balle. Structural and Functional Studies of the Modulator NS9283 Reveal Agonist-Like Mechanism of Action at ALPHA4BETA2 Nicotinic Acetylcholine Receptors J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
DOI: 10.1074/JBC.M114.568097