Zinc in PDB 4qim: Structure of the Human Smoothened Receptor in Complex with Anta Xv

The structure of Structure of the Human Smoothened Receptor in Complex with Anta Xv, PDB code: 4qim was solved by C.Wang, H.Wu, T.Evron, E.Vardy, G.W.Han, X.-P.Huang, S.J.Hufeisen, T.J.Mangano, D.J.Urban, V.Katritch, V.Cherezov, M.G.Caron, B.L.Roth, R.C.Stevens, Gpcr Network (Gpcr), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.64 / 2.61
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.830, 79.840, 170.070, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.3

The binding sites of Zinc atom in the Structure of the Human Smoothened Receptor in Complex with Anta Xv (pdb code 4qim). 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 Structure of the Human Smoothened Receptor in Complex with Anta Xv, PDB code: 4qim:

Zinc binding site 1 out of 1 in the Structure of the Human Smoothened Receptor in Complex with Anta Xv


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Human Smoothened Receptor in Complex with Anta Xv within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1202 b:0.2 occ:1.00 NE2 A:HIS433 2.1 1.0 1.0 O A:HOH1311 2.2 79.2 1.0 O A:HOH1312 2.2 81.1 1.0 CE1 A:HIS433 2.8 1.0 1.0 CD2 A:HIS433 3.3 0.2 1.0 ND1 A:HIS433 4.0 0.5 1.0 CG A:HIS433 4.2 0.4 1.0 O A:LEU1106 4.5 0.1 1.0 CB A:GLU1004 4.8 94.3 1.0

C.Wang, H.Wu, T.Evron, E.Vardy, G.W.Han, X.P.Huang, S.J.Hufeisen, T.J.Mangano, D.J.Urban, V.Katritch, V.Cherezov, M.G.Caron, B.L.Roth, R.C.Stevens. Structural Basis For Smoothened Receptor Modulation and Chemoresistance to Anticancer Drugs. Nat Commun V. 5 4355 2014.
ISSN: ESSN 2041-1723
PubMed: 25008467
DOI: 10.1038/NCOMMS5355