Zinc in PDB 6ull: Bshb From Bacillus Subtilis Complexed with A Substrate Analogue

The structure of Bshb From Bacillus Subtilis Complexed with A Substrate Analogue, PDB code: 6ull was solved by P.D.Cook, M.M.Castleman, R.L.Woodward, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.04 / 1.45
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	99.539, 99.539, 184.870, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 19.7

The binding sites of Zinc atom in the Bshb From Bacillus Subtilis Complexed with A Substrate Analogue (pdb code 6ull). 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 Bshb From Bacillus Subtilis Complexed with A Substrate Analogue, PDB code: 6ull:

Zinc binding site 1 out of 1 in the Bshb From Bacillus Subtilis Complexed with A Substrate Analogue


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Bshb From Bacillus Subtilis Complexed with A Substrate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:23.7 occ:0.50 OD1 A:ASP15 1.9 15.4 1.0 O7 A:RWI301 2.0 17.8 1.0 NE2 A:HIS113 2.1 13.7 1.0 ND1 A:HIS12 2.2 14.1 1.0 CG A:ASP15 2.7 13.6 1.0 OD2 A:ASP15 2.8 15.7 1.0 C7 A:RWI301 2.9 24.0 1.0 CE1 A:HIS113 3.0 14.6 1.0 CE1 A:HIS12 3.0 15.1 1.0 CD2 A:HIS113 3.2 14.9 1.0 O2 A:RWI301 3.2 30.7 1.0 CG A:HIS12 3.3 15.2 1.0 N8 A:RWI301 3.5 25.9 1.0 CB A:HIS12 3.7 14.9 1.0 N2 A:RWI301 3.9 20.9 1.0 CB A:ASP15 4.1 14.9 1.0 ND1 A:HIS113 4.2 16.1 1.0 C2 A:RWI301 4.2 17.5 1.0 NE2 A:HIS12 4.2 15.4 1.0 CG A:HIS113 4.3 13.5 1.0 N A:HIS12 4.3 14.6 1.0 CD2 A:HIS12 4.4 15.6 1.0 O A:HOH480 4.5 22.1 1.0 CA A:HIS12 4.6 14.3 1.0 CD2 A:HIS110 4.6 17.3 1.0 CD1 A:ILE151 4.6 15.8 1.0 CB A:ALA11 4.6 14.7 1.0 OD1 A:ASP14 4.6 23.7 1.0 O3 A:RWI301 4.7 20.7 1.0 O A:HIS12 4.7 14.9 1.0 CA A:ASP15 4.7 14.5 1.0 CG2 A:ILE151 4.9 16.1 1.0 NE2 A:HIS110 5.0 14.3 1.0

R.L.Woodward, M.M.Castleman, C.E.Meloche, M.E.Karpen, C.G.Carlson, W.H.Yobi, J.C.Jepsen, B.W.Lewis, B.N.Zarnosky, P.D.Cook. X-Ray Crystallographic Structure of Bshb, the Zinc-Dependent Deacetylase Involved in Bacillithiol Biosynthesis. Protein Sci. 2019.
ISSN: ESSN 1469-896X
PubMed: 31867856
DOI: 10.1002/PRO.3808