Zinc in PDB 4n4w: Structure of the Human Smoothened Receptor in Complex with Sant-1.

The structure of Structure of the Human Smoothened Receptor in Complex with Sant-1., PDB code: 4n4w was solved by C.Wang, H.Wu, G.W.Han, V.Cherezov, 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)	49.35 / 2.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	84.640, 110.880, 145.210, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.3

The binding sites of Zinc atom in the Structure of the Human Smoothened Receptor in Complex with Sant-1. (pdb code 4n4w). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the Human Smoothened Receptor in Complex with Sant-1., PDB code: 4n4w:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the Human Smoothened Receptor in Complex with Sant-1.


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 Sant-1. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn606 b:64.1 occ:0.50 OD1 A:ASP66 1.9 71.7 1.0 ND1 A:HIS63 2.0 63.0 1.0 CG A:ASP66 2.8 69.3 1.0 CE1 A:HIS63 2.9 63.2 1.0 CB A:ASP66 3.1 58.9 1.0 CG A:HIS63 3.1 60.1 1.0 CA A:HIS63 3.6 54.6 1.0 CB A:HIS63 3.6 56.5 1.0 OD2 A:ASP66 4.0 71.6 1.0 NE2 A:HIS63 4.1 62.8 1.0 O A:HIS63 4.2 56.0 1.0 CD2 A:HIS63 4.2 61.5 1.0 C A:HIS63 4.4 55.5 1.0 CA A:ASP66 4.6 56.2 1.0 N A:HIS63 4.6 54.9 1.0

Zinc binding site 2 out of 2 in the Structure of the Human Smoothened Receptor in Complex with Sant-1.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the Human Smoothened Receptor in Complex with Sant-1. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn607 b:78.8 occ:1.00 NE2 A:HIS433 1.9 100.0 1.0 O A:HOH706 2.5 55.2 1.0 CD2 A:HIS433 2.9 0.1 1.0 CE1 A:HIS433 2.9 0.8 1.0 CB A:ASN432 3.7 95.4 1.0 CG A:HIS433 3.9 99.8 1.0 ND1 A:HIS433 4.0 0.3 1.0 ND2 A:ASN432 4.0 0.6 1.0 CG A:ASN432 4.2 0.6 1.0 CD2 A:LEU346 4.9 93.7 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