Zinc in PDB 6sj1: Amidohydrolase, Ahs

The structure of Amidohydrolase, Ahs, PDB code: 6sj1 was solved by J.H.Naismith, H.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.36 / 2.06
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.610, 54.510, 141.540, 90.00, 111.87, 90.00
R / Rfree (%)	18.2 / 21.9

The binding sites of Zinc atom in the Amidohydrolase, Ahs (pdb code 6sj1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Amidohydrolase, Ahs, PDB code: 6sj1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Amidohydrolase, Ahs


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Amidohydrolase, Ahs within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:30.2 occ:1.00 NE2 A:HIS75 1.9 25.6 1.0 NE2 A:HIS253 2.0 41.5 1.0 NE2 A:HIS77 2.0 23.8 1.0 O A:HOH616 2.2 24.1 1.0 CE1 A:HIS75 2.8 30.3 1.0 OD1 A:ASP345 2.8 70.2 1.0 CE1 A:HIS253 2.9 43.6 1.0 CE1 A:HIS77 3.0 25.4 1.0 CD2 A:HIS75 3.0 26.9 1.0 CD2 A:HIS253 3.0 41.2 1.0 CD2 A:HIS77 3.1 20.2 1.0 CG A:ASP345 3.6 59.6 1.0 ND1 A:HIS75 3.9 31.1 1.0 OD2 A:ASP345 4.0 60.0 1.0 CG A:HIS75 4.1 28.2 1.0 ND1 A:HIS253 4.1 42.0 1.0 ND1 A:HIS77 4.1 28.5 1.0 CG A:HIS253 4.1 39.9 1.0 CG A:HIS77 4.2 27.5 1.0 NE2 A:HIS290 4.2 35.2 1.0 CB A:ASP345 4.7 44.2 1.0 CA A:ASP345 4.7 47.4 1.0 CD2 A:HIS290 5.0 36.7 1.0 CE1 A:HIS290 5.0 35.0 1.0

Zinc binding site 2 out of 2 in the Amidohydrolase, Ahs


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Amidohydrolase, Ahs within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:27.3 occ:1.00 NE2 B:HIS75 2.0 27.2 1.0 NE2 B:HIS77 2.0 23.4 1.0 NE2 B:HIS253 2.0 25.8 1.0 O B:HOH628 2.1 21.0 1.0 OD1 B:ASP345 2.7 50.5 1.0 CE1 B:HIS75 2.9 32.5 1.0 CE1 B:HIS77 3.0 28.4 1.0 CE1 B:HIS253 3.0 34.4 1.0 CD2 B:HIS77 3.0 20.4 1.0 CD2 B:HIS253 3.0 22.8 1.0 CD2 B:HIS75 3.1 24.5 1.0 CG B:ASP345 3.5 49.9 1.0 OD2 B:ASP345 3.9 66.7 1.0 ND1 B:HIS75 4.0 29.6 1.0 ND1 B:HIS77 4.1 25.5 1.0 ND1 B:HIS253 4.1 32.4 1.0 CG B:HIS77 4.2 22.2 1.0 CG B:HIS75 4.2 22.6 1.0 NE2 B:HIS290 4.2 30.5 1.0 CG B:HIS253 4.2 24.6 1.0 CB B:ASP345 4.7 36.8 1.0 CA B:ASP345 4.7 37.8 1.0 CD2 B:HIS290 5.0 27.9 1.0 CE1 B:HIS290 5.0 29.8 1.0

H.Song, C.Rao, Z.Deng, Y.Yi, J.H.Naismith. The Biosynthetic Pathway of the Benzoxazole in Nataxazole Proceeds Via An Unstable Ester and Has Synthetic Utility. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 31903677
DOI: 10.1002/ANIE.201915685