Zinc in PDB 4xnv: The Human P2Y1 Receptor in Complex with Bptu

The structure of The Human P2Y1 Receptor in Complex with Bptu, PDB code: 4xnv was solved by D.Zhang, Z.Gao, K.Jacobson, G.W.Han, R.Stevens, Q.Zhao, B.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.40 / 2.20
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	66.270, 66.270, 239.070, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 23

The structure of The Human P2Y1 Receptor in Complex with Bptu also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Zinc atom in the The Human P2Y1 Receptor in Complex with Bptu (pdb code 4xnv). 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 The Human P2Y1 Receptor in Complex with Bptu, PDB code: 4xnv:

Zinc binding site 1 out of 1 in the The Human P2Y1 Receptor in Complex with Bptu


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Human P2Y1 Receptor in Complex with Bptu within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1115 b:87.0 occ:1.00 SG A:CYS1009 2.2 0.1 1.0 SG A:CYS1042 2.3 0.5 1.0 SG A:CYS1039 2.6 0.6 1.0 SG A:CYS1006 2.9 95.6 1.0 CB A:CYS1009 3.1 99.4 1.0 CB A:CYS1006 3.4 91.8 1.0 CB A:CYS1042 3.5 0.5 1.0 CB A:CYS1039 3.5 0.9 1.0 N A:CYS1042 3.7 0.9 1.0 N A:CYS1009 4.0 99.2 1.0 CA A:CYS1009 4.1 99.4 1.0 CA A:CYS1042 4.2 0.0 1.0 CB A:TYR1011 4.4 0.8 1.0 CB A:LEU1041 4.4 1.0 1.0 CG2 A:VAL1044 4.5 0.4 1.0 N A:GLY1010 4.6 0.4 1.0 N A:TYR1011 4.7 0.4 1.0 N A:GLY1043 4.7 0.1 1.0 C A:LEU1041 4.8 0.2 1.0 CZ A:PHE1049 4.9 0.7 1.0 C A:CYS1009 4.9 0.4 1.0 CA A:CYS1006 4.9 91.5 1.0 CA A:LEU1041 5.0 0.8 1.0 CA A:CYS1039 5.0 0.8 1.0

D.Zhang, Z.Gao, K.Zhang, E.Kiselev, S.Crane, J.Wang, S.Paoletta, C.Yi, L.Ma, W.Zhang, G.W.Han, H.Liu, V.Cherezov, V.Katritch, H.Jiang, R.Stevens, K.Jacobson, Q.Zhao, B.Wu. Two Disparate Ligand-Binding Sites in the Human P2Y1 Receptor Nature 2015.
ISSN: ESSN 1476-4687
DOI: 10.1038/NATURE14287