Arsenic in PDB 1r4v: 1.9A Crystal Structure of Protein AQ328 From Aquifex Aeolicus

The structure of 1.9A Crystal Structure of Protein AQ328 From Aquifex Aeolicus, PDB code: 1r4v was solved by Y.Qiu, V.Tereshko, Y.Kim, R.Zhang, F.Collart, A.Joachimiak, A.Kossiakoff, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.036, 56.036, 244.768, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 21.3

The structure of 1.9A Crystal Structure of Protein AQ328 From Aquifex Aeolicus also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Arsenic atom in the 1.9A Crystal Structure of Protein AQ328 From Aquifex Aeolicus (pdb code 1r4v). 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 1.9A Crystal Structure of Protein AQ328 From Aquifex Aeolicus, PDB code: 1r4v:

Arsenic binding site 1 out of 1 in the 1.9A Crystal Structure of Protein AQ328 From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of 1.9A Crystal Structure of Protein AQ328 From Aquifex Aeolicus within 5.0Å range: probe atom residue distance (Å) B Occ A:As203 b:32.5 occ:1.00 AS A:CAC203 0.0 32.5 1.0 O1 A:CAC203 1.7 34.5 1.0 O2 A:CAC203 1.7 40.3 1.0 C2 A:CAC203 2.0 35.6 1.0 C1 A:CAC203 2.0 35.9 1.0 ZN A:ZN202 3.4 43.7 1.0 O A:HOH514 3.6 22.3 0.5 O A:HOH521 3.9 22.7 0.5 NH2 A:ARG37 3.9 36.9 1.0 NH1 A:ARG37 4.0 34.4 1.0 OD2 A:ASP33 4.1 36.8 1.0 O A:HOH352 4.4 28.9 1.0 CZ A:ARG37 4.5 36.9 1.0 ND1 A:HIS34 4.5 28.4 1.0 CG A:ASP33 4.6 25.2 1.0 CB A:HIS34 4.7 26.5 1.0 O A:ASP30 4.7 21.8 1.0 NH1 A:ARG25 4.9 28.8 1.0 OD1 A:ASP33 4.9 34.2 1.0 O A:HOH520 5.0 19.3 0.5

Y.Qiu, V.Tereshko, Y.Kim, R.Zhang, F.Collart, M.Yousef, A.Kossiakoff, A.Joachimiak. The Crystal Structure of AQ_328 From the Hyperthermophilic Bacteria Aquifex Aeolicus Shows An Ancestral Histone Fold. Proteins V. 62 8 2006.
ISSN: ISSN 0887-3585
PubMed: 16287087
DOI: 10.1002/PROT.20590