Arsenic in PDB 1lzk: Bacterial Heroin Esterase Complex with Transition State Analog Dimethylarsenic Acid

The structure of Bacterial Heroin Esterase Complex with Transition State Analog Dimethylarsenic Acid, PDB code: 1lzk was solved by X.Zhu, N.A.Larsen, A.Basran, N.C.Bruce, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.40 / 1.45
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.584, 71.584, 106.170, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 22.3

The binding sites of Arsenic atom in the Bacterial Heroin Esterase Complex with Transition State Analog Dimethylarsenic Acid (pdb code 1lzk). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Bacterial Heroin Esterase Complex with Transition State Analog Dimethylarsenic Acid, PDB code: 1lzk:

Arsenic binding site 1 out of 1 in the Bacterial Heroin Esterase Complex with Transition State Analog Dimethylarsenic Acid


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Bacterial Heroin Esterase Complex with Transition State Analog Dimethylarsenic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:As500 b:22.1 occ:0.61 AS A:CAC500 0.0 22.1 0.6 O2 A:CAC500 1.6 5.8 0.6 C1 A:CAC500 1.8 13.8 0.6 C2 A:CAC500 1.9 13.6 0.6 OG A:SER160 2.0 12.8 0.6 CB A:SER160 2.8 14.7 0.6 CB A:SER160 2.9 16.7 0.4 NE2 A:HIS290 3.5 20.9 1.0 OG A:SER160 3.6 17.0 0.4 N A:GLY89 3.7 9.2 1.0 N A:ALA161 3.8 9.4 1.0 O A:HOH661 3.9 33.7 1.0 N A:GLY88 3.9 11.1 1.0 CE1 A:HIS290 4.1 18.8 1.0 CA A:SER160 4.1 7.8 1.0 CA A:GLY89 4.3 9.0 1.0 C A:SER160 4.3 7.8 1.0 O A:HOH713 4.4 42.3 1.0 OE1 A:GLU190 4.4 11.2 1.0 CA A:GLY88 4.5 8.7 1.0 C A:GLY88 4.5 8.6 1.0 CD2 A:HIS290 4.6 20.9 1.0 CB A:ALA161 4.7 8.2 1.0 O A:HOH715 4.7 59.7 1.0 CE3 A:TRP209 4.7 13.2 1.0 CD2 A:TRP209 4.8 13.5 1.0 CA A:ALA161 4.8 7.7 1.0 CZ3 A:TRP209 4.9 12.0 1.0 C A:GLY87 5.0 11.1 1.0 CE2 A:TRP209 5.0 13.6 1.0

X.Zhu, N.A.Larsen, A.Basran, N.C.Bruce, I.A.Wilson. Observation of An Arsenic Adduct in An Acetyl Esterase Crystal Structure J.Biol.Chem. V. 278 2008 2003.
ISSN: ISSN 0021-9258
PubMed: 12421810
DOI: 10.1074/JBC.M210103200