Zinc in PDB 6n4n: Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex

The structure of Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex, PDB code: 6n4n was solved by Z.Wang, G.W.Foight, D.Baker, D.J.Maly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.16 / 2.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.840, 69.256, 99.344, 90.00, 108.59, 90.00
R / Rfree (%)	20.4 / 24.1

The structure of Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex (pdb code 6n4n). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex, PDB code: 6n4n:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1201 b:40.7 occ:1.00 SG A:CYS1145 2.3 37.8 1.0 SG A:CYS1099 2.3 49.5 1.0 SG A:CYS1097 2.3 42.7 1.0 ND1 A:HIS1149 2.4 47.5 1.0 CB A:CYS1145 3.3 35.5 1.0 CE1 A:HIS1149 3.3 49.2 1.0 CB A:CYS1099 3.3 49.6 1.0 CG A:HIS1149 3.4 45.0 1.0 CB A:CYS1097 3.4 42.0 1.0 CB A:HIS1149 3.6 39.8 1.0 N A:CYS1099 3.7 48.7 1.0 CA A:CYS1097 3.8 42.3 1.0 N A:THR1098 4.0 46.5 1.0 CA A:CYS1099 4.0 48.3 1.0 C A:CYS1097 4.4 44.1 1.0 NE2 A:HIS1149 4.5 48.9 1.0 CD2 A:HIS1149 4.5 45.2 1.0 CB A:ALA1147 4.6 35.1 1.0 CA A:CYS1145 4.7 32.7 1.0 C A:THR1098 4.8 49.7 1.0 CA A:HIS1149 4.8 34.9 1.0 N A:HIS1149 4.9 34.6 1.0 C A:CYS1099 4.9 47.0 1.0 N A:GLY1100 4.9 43.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Designed Protein DNCR2/Danoprevir/NS3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1201 b:41.9 occ:1.00 SG B:CYS1145 2.3 39.9 1.0 SG B:CYS1097 2.3 42.6 1.0 SG B:CYS1099 2.3 51.6 1.0 ND1 B:HIS1149 2.4 48.3 1.0 CB B:CYS1145 3.3 38.4 1.0 CE1 B:HIS1149 3.3 49.6 1.0 CG B:HIS1149 3.4 45.9 1.0 CB B:CYS1099 3.4 52.0 1.0 CB B:CYS1097 3.4 42.6 1.0 CB B:HIS1149 3.6 41.1 1.0 N B:CYS1099 3.7 51.2 1.0 CA B:CYS1097 3.8 43.3 1.0 N B:THR1098 4.1 47.1 1.0 CA B:CYS1099 4.1 51.7 1.0 C B:CYS1097 4.4 44.7 1.0 NE2 B:HIS1149 4.4 48.7 1.0 CD2 B:HIS1149 4.5 46.2 1.0 CB B:ALA1147 4.5 37.4 1.0 CA B:CYS1145 4.7 36.3 1.0 CA B:HIS1149 4.8 37.4 1.0 C B:THR1098 4.8 51.3 1.0 N B:HIS1149 4.8 35.7 1.0 C B:CYS1099 4.9 50.6 1.0 N B:GLY1100 5.0 48.6 1.0

G.W.Foight, Z.Wang, C.T.Wei, P.Jr Greisen, K.M.Warner, D.Cunningham-Bryant, K.Park, T.J.Brunette, W.Sheffler, D.Baker, D.J.Maly. Multi-Input Chemical Control of Protein Dimerization For Programming Graded Cellular Responses. Nat.Biotechnol. V. 37 1209 2019.
ISSN: ISSN 1087-0156
PubMed: 31501561
DOI: 10.1038/S41587-019-0242-8