Zinc in PDB 6me9: Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with Ramelteon

The structure of Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with Ramelteon, PDB code: 6me9 was solved by L.C.Johansson, B.Stauch, J.Mccorvy, G.W.Han, N.Patel, A.Batyuk, C.Gati, C.Li, J.Grandner, S.Hao, R.H.J.Olsen, A.R.Tribo, S.Zaare, L.Zhu, N.A.Zatsepin, U.Weierstall, W.Liu, B.L.Roth, V.Katritch, V.Cherezov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.00 / 3.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.400, 145.700, 77.200, 90.00, 106.20, 90.00
R / Rfree (%)	24.8 / 27

The binding sites of Zinc atom in the Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with Ramelteon (pdb code 6me9). 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 Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with Ramelteon, PDB code: 6me9:

Zinc binding site 1 out of 1 in the Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with Ramelteon


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with Ramelteon within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2202 b:0.7 occ:1.00 SG A:CYS1008 2.4 0.9 1.0 SG A:CYS1041 2.4 0.3 1.0 SG A:CYS1038 2.5 0.7 1.0 SG A:CYS1005 2.6 0.7 1.0 CB A:CYS1041 3.3 0.4 1.0 CB A:CYS1005 3.4 0.8 1.0 CB A:CYS1038 3.5 0.8 1.0 CB A:CYS1008 3.5 0.9 1.0 N A:CYS1008 3.6 0.0 1.0 N A:CYS1041 3.8 0.0 1.0 CB A:TYR1010 3.9 0.7 1.0 CA A:CYS1008 4.0 0.5 1.0 CA A:CYS1041 4.1 0.1 1.0 N A:TYR1010 4.5 0.8 1.0 C A:CYS1008 4.5 0.3 1.0 CB A:VAL1007 4.5 0.8 1.0 N A:GLY1009 4.6 0.4 1.0 CB A:LEU1040 4.6 0.3 1.0 C A:VAL1007 4.7 0.1 1.0 C A:LEU1040 4.8 0.7 1.0 CZ A:PHE1048 4.9 0.9 1.0 CA A:TYR1010 4.9 0.2 1.0 CA A:CYS1005 4.9 0.4 1.0 CA A:CYS1038 4.9 0.4 1.0 CG A:TYR1010 4.9 0.3 1.0 C A:CYS1041 4.9 0.3 1.0 CG1 A:VAL1007 5.0 0.6 1.0 CA A:VAL1007 5.0 0.0 1.0

L.C.Johansson, B.Stauch, J.D.Mccorvy, G.W.Han, N.Patel, X.P.Huang, A.Batyuk, C.Gati, S.T.Slocum, C.Li, J.M.Grandner, S.Hao, R.H.J.Olsen, A.R.Tribo, S.Zaare, L.Zhu, N.A.Zatsepin, U.Weierstall, S.Yous, R.C.Stevens, W.Liu, B.L.Roth, V.Katritch, V.Cherezov. Xfel Structures of the Human MT2MELATONIN Receptor Reveal the Basis of Subtype Selectivity. Nature V. 569 289 2019.
ISSN: ESSN 1476-4687
PubMed: 31019305
DOI: 10.1038/S41586-019-1144-0