Chlorine in PDB 4mqt: Structure of Active Human M2 Muscarinic Acetylcholine Receptor Bound to the Agonist Iperoxo and Allosteric Modulator LY2119620

The structure of Structure of Active Human M2 Muscarinic Acetylcholine Receptor Bound to the Agonist Iperoxo and Allosteric Modulator LY2119620, PDB code: 4mqt was solved by A.C.Kruse, A.M.Ring, A.Manglik, J.Hu, K.Hu, K.Eitel, H.Huebner, E.Pardon, C.Valant, P.M.Sexton, A.Christopoulos, C.C.Felder, P.Gmeiner, J.Steyaert, W.I.Weis, K.C.Garcia, J.Wess, B.K.Kobilka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.00 / 3.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.032, 77.399, 163.822, 90.00, 90.00, 90.00
R / Rfree (%)	25 / 30.1

The binding sites of Chlorine atom in the Structure of Active Human M2 Muscarinic Acetylcholine Receptor Bound to the Agonist Iperoxo and Allosteric Modulator LY2119620 (pdb code 4mqt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Active Human M2 Muscarinic Acetylcholine Receptor Bound to the Agonist Iperoxo and Allosteric Modulator LY2119620, PDB code: 4mqt:

Chlorine binding site 1 out of 1 in the Structure of Active Human M2 Muscarinic Acetylcholine Receptor Bound to the Agonist Iperoxo and Allosteric Modulator LY2119620


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Active Human M2 Muscarinic Acetylcholine Receptor Bound to the Agonist Iperoxo and Allosteric Modulator LY2119620 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:0.3 occ:1.00 CL1 A:2CU502 0.0 0.3 1.0 C13 A:2CU502 1.7 0.0 1.0 C12 A:2CU502 2.7 0.7 1.0 C15 A:2CU502 2.7 96.6 1.0 O11 A:2CU502 2.9 0.2 1.0 C16 A:2CU502 3.0 96.3 1.0 CB A:PHE181 3.3 0.6 1.0 C10 A:2CU502 3.9 0.2 1.0 N23 A:2CU502 3.9 1.0 1.0 C17 A:2CU502 4.1 89.6 1.0 ND2 A:ASN410 4.1 0.5 1.0 O A:ILE178 4.2 0.5 1.0 C22 A:2CU502 4.5 0.4 1.0 CZ2 A:TRP422 4.6 87.9 1.0 CA A:PHE181 4.7 0.7 1.0 CB A:TYR177 4.7 0.2 1.0 CD1 A:TYR177 4.7 0.2 1.0 O09 A:2CU502 4.9 0.5 1.0 C A:PHE181 5.0 0.9 1.0 C08 A:2CU502 5.0 0.6 1.0 CG A:TYR177 5.0 0.6 1.0

A.C.Kruse, A.M.Ring, A.Manglik, J.Hu, K.Hu, K.Eitel, H.Hubner, E.Pardon, C.Valant, P.M.Sexton, A.Christopoulos, C.C.Felder, P.Gmeiner, J.Steyaert, W.I.Weis, K.C.Garcia, J.Wess, B.K.Kobilka. Activation and Allosteric Modulation of A Muscarinic Acetylcholine Receptor. Nature V. 504 101 2013.
ISSN: ISSN 0028-0836
PubMed: 24256733
DOI: 10.1038/NATURE12735