Arsenic in PDB 1p6l: Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound

All present enzymatic activity of Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound:
1.14.13.39;

The structure of Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound, PDB code: 1p6l was solved by M.L.Flinspach, H.Li, J.Jamal, W.Yang, H.Huang, J.-M.Hah, J.A.Gomez-Vidal, E.A.Litzinger, R.B.Silverman, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.98 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.773, 106.243, 156.487, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 27.2

The structure of Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound also contains other interesting chemical elements:

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

The binding sites of Arsenic atom in the Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound (pdb code 1p6l). 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 Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound, PDB code: 1p6l:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:As850 b:61.9 occ:1.00 AS A:CAC850 0.0 61.9 1.0 C1 A:CAC850 1.8 57.9 1.0 C2 A:CAC850 1.8 58.0 1.0 SG A:CYS384 2.3 52.8 1.0 CB A:CYS384 3.2 47.5 1.0 CA A:CYS384 3.9 45.3 1.0 CE3 A:TRP324 4.1 41.5 1.0 CD2 A:TRP324 4.4 42.0 1.0 CD1 A:LEU328 4.5 39.5 1.0 CB A:TRP324 4.7 41.5 1.0 CG A:TRP324 4.7 41.3 1.0 CZ3 A:TRP324 4.7 41.3 1.0 N A:CYS384 4.8 43.3 1.0

Arsenic binding site 2 out of 2 in the Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Bovine Endothelial Nos Heme Domain with L-N(Omega)-Nitroarginine-2,4- L-Diaminobutyric Amide Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:As851 b:71.1 occ:1.00 AS B:CAC851 0.0 71.1 1.0 C1 B:CAC851 1.8 69.0 1.0 C2 B:CAC851 1.8 69.8 1.0 SG B:CYS384 2.3 67.2 1.0 CB B:CYS384 3.5 62.5 1.0 CA B:CYS384 4.0 61.4 1.0 CE3 B:TRP324 4.6 67.7 1.0 N B:CYS384 4.8 60.2 1.0 CD2 B:TRP324 4.9 67.9 1.0

M.L.Flinspach, H.Li, J.Jamal, W.Yang, H.Huang, J.M.Hah, J.A.Gomez-Vidal, E.A.Litzinger, R.B.Silverman, T.L.Poulos. Structural Basis For Dipeptide Amide Isoform-Selective Inhibition of Neuronal Nitric Oxide Synthase. Nat.Struct.Mol.Biol. V. 11 54 2004.
ISSN: ISSN 1545-9993
PubMed: 14718923
DOI: 10.1038/NSMB704