Arsenic in PDB 1dmj: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine:
1.14.13.39;

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine, PDB code: 1dmj was solved by P.Kotsonis, L.G.Frohlich, C.S.Raman, H.Li, M.Berg, R.Gerwig, V.Groehn, Y.Kang, N.Al-Masoudi, S.Taghavi-Moghadam, D.Mohr, U.Munch, J.Schnabel, P.Martasek, B.S.Masters, H.Strobel, T.Poulos, H.Matter, W.Pfleiderer, H.H.Schmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.38 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.900, 106.490, 156.550, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.8

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine also contains other interesting chemical elements:

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

The binding sites of Arsenic atom in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine (pdb code 1dmj). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine, PDB code: 1dmj:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine within 5.0Å range: probe atom residue distance (Å) B Occ A:As950 b:53.0 occ:1.00 AS A:CAC950 0.0 53.0 1.0 C2 A:CAC950 1.8 42.0 1.0 C1 A:CAC950 1.8 47.1 1.0 SG A:CYS384 2.4 37.7 1.0 CB A:CYS384 3.4 30.6 1.0 CA A:CYS384 4.0 27.5 1.0 O A:HOH2087 4.5 20.7 1.0 CE3 A:TRP324 4.6 23.5 1.0 CD1 A:LEU328 4.7 24.4 1.0 N A:CYS384 4.8 27.1 1.0 CD2 A:TRP324 4.9 23.8 1.0

Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine within 5.0Å range: probe atom residue distance (Å) B Occ B:As950 b:52.5 occ:1.00 AS B:CAC950 0.0 52.5 1.0 C2 B:CAC950 1.8 46.3 1.0 C1 B:CAC950 1.8 48.9 1.0 SG B:CYS384 2.3 43.1 1.0 CB B:CYS384 3.4 38.0 1.0 CA B:CYS384 4.0 36.7 1.0 CE3 B:TRP324 4.5 42.0 1.0 CB B:TRP324 4.8 40.7 1.0 CD2 B:TRP324 4.8 43.1 1.0 N B:CYS384 4.9 36.2 1.0 CD2 B:LEU328 4.9 41.5 1.0 CG B:TRP324 5.0 43.1 1.0

P.Kotsonis, L.G.Frohlich, C.S.Raman, H.Li, M.Berg, R.Gerwig, V.Groehn, Y.Kang, N.Al-Masoudi, S.Taghavi-Moghadam, D.Mohr, U.Munch, J.Schnabel, P.Martasek, B.S.Masters, H.Strobel, T.Poulos, H.Matter, W.Pfleiderer, H.H.Schmidt. Structural Basis For Pterin Antagonism in Nitric-Oxide Synthase. Development of Novel 4-Oxo-Pteridine Antagonists of (6R)-5,6,7,8-Tetrahydrobiopterin J.Biol.Chem. V. 276 49133 2001.
ISSN: ISSN 0021-9258
PubMed: 11590164
DOI: 10.1074/JBC.M011469200