Zinc in PDB 5yy2: Crystal Structure of Asqi with Zn

The structure of Crystal Structure of Asqi with Zn, PDB code: 5yy2 was solved by K.Hara, H.Hashimoto, S.Kishimoto, K.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 2.91
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	84.582, 114.858, 157.750, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21.5

The binding sites of Zinc atom in the Crystal Structure of Asqi with Zn (pdb code 5yy2). 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 Crystal Structure of Asqi with Zn, PDB code: 5yy2:

Zinc binding site 1 out of 1 in the Crystal Structure of Asqi with Zn


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 Asqi with Zn within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:38.6 occ:1.00 NE2 A:HIS180 1.9 26.3 1.0 O A:HOH901 2.0 22.1 1.0 NE2 A:HIS176 2.0 37.1 1.0 NE2 A:HIS208 2.0 25.9 1.0 CE1 A:HIS176 2.1 38.0 1.0 CE1 A:HIS180 2.7 23.4 1.0 CE1 A:HIS208 2.9 23.7 1.0 CD2 A:HIS208 3.1 25.9 1.0 CD2 A:HIS180 3.1 25.0 1.0 CD2 A:HIS176 3.4 25.6 1.0 ND1 A:HIS176 3.4 35.0 1.0 ND1 A:HIS180 3.9 21.6 1.0 OH A:TYR387 4.0 35.1 1.0 CG A:HIS176 4.0 25.3 1.0 ND1 A:HIS208 4.1 22.1 1.0 CG A:HIS180 4.1 25.2 1.0 CG A:HIS208 4.2 21.9 1.0 CZ A:TYR387 4.5 30.3 1.0 CE1 A:TYR387 4.7 28.5 1.0 CE3 A:TRP179 4.7 23.2 1.0 CZ3 A:TRP179 4.8 22.0 1.0

S.Kishimoto, K.Hara, H.Hashimoto, Y.Hirayama, P.A.Champagne, K.N.Houk, Y.Tang, K.Watanabe. Enzymatic One-Step Ring Contraction For Quinolone Biosynthesis. Nat Commun V. 9 2826 2018.
ISSN: ESSN 2041-1723
PubMed: 30026518
DOI: 10.1038/S41467-018-05221-5