Arsenic in PDB 4cwx: Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1

All present enzymatic activity of Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1:
1.14.13.39;

The structure of Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1, PDB code: 4cwx was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.70 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.942, 106.494, 156.981, 90.00, 90.00, 90.00
R / Rfree (%)	17.052 / 20.984

The structure of Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1 also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Arsenic atom in the Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1 (pdb code 4cwx). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1, PDB code: 4cwx:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1 within 5.0Å range: probe atom residue distance (Å) B Occ A:As384 b:61.7 occ:1.00 AS A:CAS384 0.0 61.7 1.0 CE2 A:CAS384 2.0 54.2 1.0 CE1 A:CAS384 2.0 61.7 1.0 SG A:CAS384 2.5 52.3 1.0 CB A:CAS384 3.0 47.0 1.0 CA A:CAS384 3.7 45.3 1.0 CE3 A:TRP324 4.0 41.4 1.0 CD2 A:TRP324 4.1 42.8 1.0 CG A:TRP324 4.1 44.4 1.0 CB A:TRP324 4.2 46.0 1.0 C A:CAS384 4.7 44.8 1.0 O A:CAS384 4.7 44.3 1.0 N A:CAS384 4.7 44.5 1.0 CZ3 A:TRP324 4.8 41.1 1.0 CE2 A:TRP324 4.9 42.3 1.0 CD1 A:LEU328 4.9 48.8 1.0 CD1 A:TRP324 4.9 44.8 1.0

Arsenic binding site 2 out of 2 in the Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Alpha-Ketoglutarate-Dependent Dioxygenase COMPLEX1 within 5.0Å range: probe atom residue distance (Å) B Occ B:As950 b:80.7 occ:1.00 AS B:CAS950 0.0 80.7 1.0 CE2 B:CAS950 2.0 75.0 1.0 CE1 B:CAS950 2.0 75.6 1.0 SG B:CAS384 2.6 62.6 1.0 CB B:CAS384 3.4 57.4 1.0 CA B:CAS384 3.9 55.7 1.0 CB B:TRP324 4.4 60.0 1.0 CE3 B:TRP324 4.4 56.4 1.0 CD2 B:TRP324 4.5 57.7 1.0 CG B:TRP324 4.5 59.5 1.0 N B:CAS384 4.8 54.4 1.0 CD2 B:LEU328 4.8 58.6 1.0

H.Li, J.Jamal, S.L.Delker, C.Plaza, H.Ji, Q.Jing, H.Huang, S.Kang, R.B.Silverman, T.L.Poulos. Mobility of A Conserved Tyrosine Residue Controls Isoform- Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry V. 53 5272 2014.
ISSN: ISSN 0006-2960
PubMed: 25089924
DOI: 10.1021/BI500561H