Arsenic in PDB 1ro6: Crystal Structure of PDE4B2B Complexed with Rolipram (R & S)

All present enzymatic activity of Crystal Structure of PDE4B2B Complexed with Rolipram (R & S):
3.1.4.17;

The structure of Crystal Structure of PDE4B2B Complexed with Rolipram (R & S), PDB code: 1ro6 was solved by R.X.Xu, W.J.Rocque, M.H.Lambert, D.E.Vanderwall, R.T.Nolte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	103.148, 160.891, 108.780, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 24.5

The structure of Crystal Structure of PDE4B2B Complexed with Rolipram (R & S) also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Arsenic atom in the Crystal Structure of PDE4B2B Complexed with Rolipram (R & S) (pdb code 1ro6). 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 Crystal Structure of PDE4B2B Complexed with Rolipram (R & S), PDB code: 1ro6:

Arsenic binding site 1 out of 1 in the Crystal Structure of PDE4B2B Complexed with Rolipram (R & S)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of PDE4B2B Complexed with Rolipram (R & S) within 5.0Å range: probe atom residue distance (Å) B Occ A:As531 b:59.2 occ:1.00 SG A:CYS194 2.4 27.5 1.0 CB A:CYS194 3.3 24.1 1.0 CA A:CYS194 3.6 23.6 1.0 O A:CYS194 4.0 24.0 1.0 C A:CYS194 4.1 23.8 1.0 CZ A:PHE156 4.1 30.8 1.0 CD1 A:LEU166 4.2 31.3 1.0 CE2 A:PHE156 4.3 31.2 1.0 CE1 A:PHE156 4.3 29.7 1.0 CD2 A:PHE156 4.5 30.4 1.0 CD1 A:PHE156 4.6 29.8 1.0 CG A:PHE156 4.7 29.9 1.0 N A:CYS194 4.9 22.1 1.0 CD1 A:LEU170 4.9 32.1 1.0 CD1 A:ILE153 4.9 41.5 1.0

R.X.Xu, W.J.Rocque, M.H.Lambert, D.E.Vanderwall, M.A.Luther, R.T.Nolte. Crystal Structures of the Catalytic Domain of Phosphodiesterase 4B Complexed with Amp, 8-Br-Amp, and Rolipram. J.Mol.Biol. V. 337 355 2004.
ISSN: ISSN 0022-2836
PubMed: 15003452
DOI: 10.1016/J.JMB.2004.01.040