Nickel in PDB 6yn7: Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius

All present enzymatic activity of Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius:
3.2.1.23;

The structure of Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius, PDB code: 6yn7 was solved by L.J.Gourlay, F.Di Pisa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	98.90 / 1.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	100.045, 93.35, 106.383, 90, 98.69, 90
R / Rfree (%)	24.7 / 29.8

The binding sites of Nickel atom in the Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius (pdb code 6yn7). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius, PDB code: 6yn7:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni509 b:14.7 occ:1.00 NE2 A:HIS61 1.9 21.7 1.0 OE1 A:GLU29 2.1 19.7 1.0 OE2 A:GLU29 2.3 18.3 1.0 CD A:GLU29 2.5 21.9 1.0 CE1 A:HIS61 2.8 25.3 1.0 CD2 A:HIS61 3.1 21.5 1.0 O A:HOH601 3.9 19.4 1.0 ND1 A:HIS61 3.9 23.1 1.0 CG A:GLU29 4.0 15.9 1.0 CG A:HIS61 4.1 24.5 1.0 CE2 A:TYR60 4.8 21.6 1.0 CB A:GLU29 4.9 17.3 1.0 CD2 A:TYR60 4.9 20.4 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Ahe Enzyme From Alicyclobacillus Herbarius within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni504 b:15.7 occ:1.00 OE2 B:GLU29 2.0 19.9 1.0 OE2 D:GLU29 2.0 28.9 1.0 NE2 B:HIS61 2.0 18.4 1.0 NE2 D:HIS61 2.2 20.5 1.0 OE1 B:GLU29 2.4 10.5 1.0 CD B:GLU29 2.5 16.0 1.0 OE1 D:GLU29 2.6 23.5 1.0 CD D:GLU29 2.6 27.7 1.0 CE1 B:HIS61 3.0 22.4 1.0 CD2 B:HIS61 3.1 16.1 1.0 CD2 D:HIS61 3.1 19.7 1.0 CE1 D:HIS61 3.2 19.9 1.0 O B:HOH602 3.9 19.2 1.0 CG B:GLU29 3.9 14.3 1.0 CG D:GLU29 4.1 20.3 1.0 ND1 B:HIS61 4.1 17.4 1.0 CG B:HIS61 4.2 19.8 1.0 CG D:HIS61 4.3 17.1 1.0 ND1 D:HIS61 4.3 19.6 1.0 O D:HOH615 4.6 19.3 1.0 CE2 D:TYR60 4.7 23.4 1.0 CD2 D:TYR60 4.8 20.1 1.0 CB B:GLU29 4.9 19.7 1.0 CE2 B:TYR60 5.0 16.9 1.0

L.Delgado, C.M.Heckmann, F.Di Pisa, L.Gourlay, F.Paradisi. Release of Soybean Isoflavones By Using A Beta-Glucosidase From Alicyclobacillus Herbarius. Chembiochem 2020.
ISSN: ESSN 1439-7633
PubMed: 33237595
DOI: 10.1002/CBIC.202000688