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Arsenic in PDB 3e7s: Structure of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791

Enzymatic activity of Structure of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791

All present enzymatic activity of Structure of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791, PDB code: 3e7s was solved by E.D.Garcin, A.S.Arvai, R.J.Rosenfeld, M.D.Kroeger, B.R.Crane, G.Andersson, G.Andrews, P.J.Hamley, P.R.Mallinder, D.J.Nicholls, S.A.St-Gallay, A.C.Tinker, N.P.Gensmantel, A.Mete, D.R.Cheshire, S.Connolly, D.J.Stuehr, A.Aberg, A.V.Wallace, J.A.Tainer, E.D.Getzoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.930, 104.370, 156.700, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 25.4

Other elements in 3e7s:

The structure of Structure of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791 also contains other interesting chemical elements:

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

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Structure of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791 (pdb code 3e7s). 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 of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791, PDB code: 3e7s:

Arsenic binding site 1 out of 1 in 3e7s

Go back to Arsenic Binding Sites List in 3e7s
Arsenic binding site 1 out of 1 in the Structure of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Bovine Enos Oxygenase Domain with Inhibitor Ar- C95791 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As381

b:46.9
occ:1.00
 AS B:CAS381 0.0 46.9 1.0
CE2 B:CAS381 2.0 42.1 1.0
CE1 B:CAS381 2.0 40.9 1.0
SG B:CAS381 2.2 38.7 1.0
CB B:CAS381 3.1 37.0 1.0
CA B:CAS381 3.9 30.5 1.0
CE3 B:TRP321 4.3 24.0 1.0
N B:CAS381 4.4 30.0 1.0
CD2 B:TRP321 4.6 23.8 1.0
CB B:TRP321 4.6 23.2 1.0
CG B:TRP321 4.7 24.9 1.0
CD2 B:LEU325 4.9 8.0 1.0

Reference:

E.D.Garcin, A.S.Arvai, R.J.Rosenfeld, M.D.Kroeger, B.R.Crane, G.Andersson, G.Andrews, P.J.Hamley, P.R.Mallinder, D.J.Nicholls, S.A.St-Gallay, A.C.Tinker, N.P.Gensmantel, A.Mete, D.R.Cheshire, S.Connolly, D.J.Stuehr, A.Aberg, A.V.Wallace, J.A.Tainer, E.D.Getzoff. Anchored Plasticity Opens Doors For Selective Inhibitor Design in Nitric Oxide Synthase. Nat.Chem.Biol. V. 4 700 2008.
ISSN: ISSN 1552-4450
PubMed: 18849972
DOI: 10.1038/NCHEMBIO.115
Page generated: Sat Dec 12 01:39:49 2020

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