Zinc in PDB 6me6: Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with 2-Phenylmelatonin

The structure of Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with 2-Phenylmelatonin, PDB code: 6me6 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)	21.99 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.500, 146.180, 77.280, 90.00, 111.72, 90.00
R / Rfree (%)	21.9 / 24.9

The binding sites of Zinc atom in the Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with 2-Phenylmelatonin (pdb code 6me6). 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 2-Phenylmelatonin, PDB code: 6me6:

Zinc binding site 1 out of 1 in the Xfel Crystal Structure of Human Melatonin Receptor MT2 in Complex with 2-Phenylmelatonin


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 2-Phenylmelatonin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2202 b:0.7 occ:1.00 SG A:CYS1005 2.2 0.5 1.0 SG A:CYS1041 2.3 0.8 1.0 SG A:CYS1038 2.7 0.1 1.0 SG A:CYS1008 2.7 0.2 1.0 CB A:CYS1038 3.3 0.1 1.0 CB A:CYS1008 3.4 0.4 1.0 CB A:CYS1005 3.4 0.2 1.0 N A:CYS1008 3.4 0.3 1.0 CB A:CYS1041 3.8 0.2 1.0 CA A:CYS1008 3.9 0.1 1.0 CB A:VAL1043 4.3 0.1 1.0 N A:CYS1041 4.4 1.0 1.0 CB A:VAL1007 4.4 0.4 1.0 CG1 A:VAL1007 4.5 0.1 1.0 C A:VAL1007 4.5 0.8 1.0 N A:GLY1009 4.6 98.2 1.0 C A:CYS1008 4.6 0.5 1.0 CG2 A:VAL1043 4.6 1.0 1.0 CA A:CYS1041 4.6 0.5 1.0 CB A:TYR1010 4.7 99.3 1.0 CA A:CYS1005 4.8 0.1 1.0 CA A:VAL1007 4.8 0.8 1.0 CA A:CYS1038 4.8 0.7 1.0 N A:VAL1007 4.8 0.2 1.0 N A:TYR1010 4.9 99.7 1.0 CZ A:PHE1048 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