Nickel in PDB 3ta9: Beta-Glucosidase A From the Halothermophile H. Orenii

All present enzymatic activity of Beta-Glucosidase A From the Halothermophile H. Orenii:
3.2.1.21;

The structure of Beta-Glucosidase A From the Halothermophile H. Orenii, PDB code: 3ta9 was solved by A.Hofmann, C.K.Wang, L.D.Kori, B.K.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.89 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.504, 99.577, 109.427, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 26.6

The binding sites of Nickel atom in the Beta-Glucosidase A From the Halothermophile H. Orenii (pdb code 3ta9). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Beta-Glucosidase A From the Halothermophile H. Orenii, PDB code: 3ta9:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Beta-Glucosidase A From the Halothermophile H. Orenii


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Beta-Glucosidase A From the Halothermophile H. Orenii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni500 b:47.9 occ:1.00 OE2 A:GLU408 3.6 25.2 1.0 OE1 A:GLU408 3.7 19.7 1.0 NE1 A:TRP401 3.8 11.8 1.0 CE2 A:TRP401 3.9 13.2 1.0 OE1 A:GLU354 3.9 24.5 1.0 CZ2 A:TRP401 4.0 12.9 1.0 CD A:GLU408 4.1 22.3 1.0 NE1 A:TRP409 4.1 4.5 1.0 OH A:TYR296 4.4 20.3 1.0 CD1 A:TRP401 4.4 10.4 1.0 CD2 A:TRP401 4.5 8.0 1.0 CD1 A:TRP409 4.5 6.4 1.0 OE1 A:GLN20 4.6 12.7 1.0 NE2 A:GLN20 4.6 9.1 1.0 CH2 A:TRP401 4.8 12.6 1.0 CG A:TRP401 4.8 9.3 1.0 CD A:GLU354 4.9 26.4 1.0 O A:HOH458 4.9 9.2 1.0

Nickel binding site 2 out of 2 in the Beta-Glucosidase A From the Halothermophile H. Orenii


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Beta-Glucosidase A From the Halothermophile H. Orenii within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni500 b:59.2 occ:1.00 OE2 B:GLU408 3.6 19.7 1.0 OE1 B:GLU408 3.7 21.5 1.0 O B:HOH528 3.8 6.6 1.0 NE1 B:TRP401 3.8 12.2 1.0 CE2 B:TRP401 3.8 15.4 1.0 OE1 B:GLU354 3.9 29.6 1.0 CZ2 B:TRP401 4.0 13.9 1.0 CD B:GLU408 4.1 26.3 1.0 NE1 B:TRP409 4.3 4.8 1.0 OH B:TYR296 4.3 17.7 1.0 CD1 B:TRP401 4.3 9.8 1.0 CD2 B:TRP401 4.4 9.0 1.0 CD1 B:TRP409 4.7 6.6 1.0 CG B:TRP401 4.7 8.5 1.0 OE1 B:GLN20 4.7 11.7 1.0 CH2 B:TRP401 4.7 12.7 1.0 NE2 B:GLN20 4.7 9.2 1.0 CD B:GLU354 4.8 27.6 1.0 CZ B:TYR296 4.9 33.9 1.0

L.D.Kori, A.Hofmann, B.K.Patel. Expression, Purification and Preliminary Crystallographic Analysis of the Recombinant (Beta)-Glucosidase (Bgla) From the Halothermophile Halothermothrix Orenii Acta Crystallogr.,Sect.F V. 67 111 2011.
ISSN: ESSN 1744-3091
PubMed: 21206038
DOI: 10.1107/S1744309110046981