Arsenic in PDB 6kbl: Structure-Function Study of AKR4C14, An Aldo-Keto Reductase From Thai Jasmine Rice (Oryza Sativa L. Ssp. Indica Cv. KDML105)

The structure of Structure-Function Study of AKR4C14, An Aldo-Keto Reductase From Thai Jasmine Rice (Oryza Sativa L. Ssp. Indica Cv. KDML105), PDB code: 6kbl was solved by C.Songsiriritthigul, R.Narawongsanont, H.H.Guan, C.J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.24 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.070, 65.306, 79.065, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.4

The binding sites of Arsenic atom in the Structure-Function Study of AKR4C14, An Aldo-Keto Reductase From Thai Jasmine Rice (Oryza Sativa L. Ssp. Indica Cv. KDML105) (pdb code 6kbl). 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 Structure-Function Study of AKR4C14, An Aldo-Keto Reductase From Thai Jasmine Rice (Oryza Sativa L. Ssp. Indica Cv. KDML105), PDB code: 6kbl:

Arsenic binding site 1 out of 1 in the Structure-Function Study of AKR4C14, An Aldo-Keto Reductase From Thai Jasmine Rice (Oryza Sativa L. Ssp. Indica Cv. KDML105)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure-Function Study of AKR4C14, An Aldo-Keto Reductase From Thai Jasmine Rice (Oryza Sativa L. Ssp. Indica Cv. KDML105) within 5.0Å range: probe atom residue distance (Å) B Occ A:As401 b:17.7 occ:1.00 AS A:CAC401 0.0 17.7 1.0 O1 A:CAC401 1.7 16.0 1.0 O2 A:CAC401 1.8 14.8 1.0 C1 A:CAC401 1.9 17.4 1.0 C2 A:CAC401 2.0 18.1 1.0 O A:HOH502 3.5 20.1 1.0 OH A:TYR52 3.7 16.9 1.0 NE2 A:HIS114 3.8 13.8 1.0 CZ A:TYR206 4.0 13.1 1.0 O A:HOH661 4.0 27.7 1.0 CE2 A:TYR206 4.1 13.7 1.0 OH A:TYR206 4.2 13.2 1.0 CE1 A:TYR206 4.2 13.1 1.0 CD2 A:TRP24 4.3 19.3 1.0 CE2 A:TRP24 4.4 19.2 1.0 CD2 A:TYR206 4.5 14.0 1.0 CE3 A:TRP24 4.5 20.9 1.0 CD2 A:HIS114 4.5 13.8 1.0 ND2 A:ASN159 4.6 12.2 1.0 CD1 A:TYR206 4.6 14.1 1.0 CG A:TRP24 4.7 18.0 1.0 CZ A:TYR52 4.7 15.4 1.0 CZ2 A:TRP24 4.7 21.8 1.0 CZ3 A:TRP24 4.7 21.1 1.0 CG A:TYR206 4.8 14.1 1.0 CE1 A:TYR52 4.8 15.8 1.0 NE1 A:TRP24 4.8 20.1 1.0 CH2 A:TRP24 4.8 21.3 1.0 CE1 A:HIS114 4.9 14.2 1.0 CD1 A:TRP24 5.0 18.4 1.0

C.Songsiriritthigul, R.Narawongsanont, C.Tantitadapitak, H.-H.Guan, C.-J.Chen. Structure-Function Study of AKR4C14, An Aldo-Keto Reductase From Thai Jasmine Rice (Oryza Sativa L. Ssp. Indica Cv. KDML105). Acta Crystallogr.,Sect.D 2020.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798320004313