Zinc in PDB 6a94: Crystal Structure of 5-HT2AR in Complex with Zotepine

The structure of Crystal Structure of 5-HT2AR in Complex with Zotepine, PDB code: 6a94 was solved by T.K.Kimura, H.Asada, A.Inoue, F.M.N.Kadji, D.Im, C.Mori, T.Arakawa, K.Hirata, Y.Nomura, N.Nomura, J.Aoki, S.Iwata, T.Shimamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.82 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	279.180, 42.220, 91.710, 90.00, 92.16, 90.00
R / Rfree (%)	23.6 / 26.9

The structure of Crystal Structure of 5-HT2AR in Complex with Zotepine also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of 5-HT2AR in Complex with Zotepine (pdb code 6a94). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of 5-HT2AR in Complex with Zotepine, PDB code: 6a94:

Zinc binding site 1 out of 1 in the Crystal Structure of 5-HT2AR in Complex with Zotepine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of 5-HT2AR in Complex with Zotepine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn3004 b:27.5 occ:1.00 OE2 A:GLU264 1.9 20.3 1.0 OE2 A:GLU318 1.9 32.8 1.0 NE2 A:HIS182 2.1 30.3 1.0 NE2 A:HIS183 2.1 35.0 1.0 CD A:GLU318 2.6 27.5 1.0 CD A:GLU264 2.7 13.2 1.0 OE1 A:GLU318 2.7 40.7 1.0 OE1 A:GLU264 2.9 10.0 1.0 CD2 A:HIS183 2.9 35.9 1.0 CD2 A:HIS182 3.0 22.6 1.0 CE1 A:HIS183 3.1 27.9 1.0 CE1 A:HIS182 3.2 30.7 1.0 CG A:HIS183 4.0 34.6 1.0 ND1 A:HIS183 4.1 34.3 1.0 CG A:GLU318 4.1 29.8 1.0 CG A:HIS182 4.1 16.6 1.0 CG A:GLU264 4.1 9.9 1.0 ND1 A:HIS182 4.2 22.5 1.0 CG2 A:ILE177 4.7 10.8 1.0 CB A:ILE177 4.7 10.9 1.0 CG1 A:ILE315 4.8 22.0 1.0 CD2 A:LEU261 4.9 10.6 1.0 CB A:GLU318 4.9 15.6 1.0

K.T.Kimura, H.Asada, A.Inoue, F.M.N.Kadji, D.Im, C.Mori, T.Arakawa, K.Hirata, Y.Nomura, N.Nomura, J.Aoki, S.Iwata, T.Shimamura. Structures of the 5-HT2ARECEPTOR in Complex with the Antipsychotics Risperidone and Zotepine. Nat.Struct.Mol.Biol. V. 26 121 2019.
ISSN: ESSN 1545-9985
PubMed: 30723326
DOI: 10.1038/S41594-018-0180-Z