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Arsenic in PDB 4cu1: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine, PDB code: 4cu1 was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.04 / 1.89
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.335, 105.170, 155.044, 90.00, 90.00, 90.00
R / Rfree (%) 16.971 / 20.479

Other elements in 4cu1:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine 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 Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine (pdb code 4cu1). 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 Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine, PDB code: 4cu1:

Arsenic binding site 1 out of 1 in 4cu1

Go back to Arsenic Binding Sites List in 4cu1
Arsenic binding site 1 out of 1 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine


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 Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-[(2S)-3-Amino-2-{5-[2-(6-Amino- 4-Methylpyridin-2-Yl)Ethyl]Pyridin-3-Yl}Propyl]-4- Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:0.5
occ:1.00
 AS A:CAS384 0.0 0.5 1.0
CE2 A:CAS384 2.0 82.2 1.0
CE1 A:CAS384 2.0 77.0 1.0
SG A:CAS384 2.9 48.4 1.0
CB A:CAS384 3.4 45.1 1.0
CE3 A:TRP324 4.1 39.1 1.0
CA A:CAS384 4.2 42.0 1.0
CD2 A:TRP324 4.3 38.8 1.0
CB A:TRP324 4.3 40.0 1.0
CG A:TRP324 4.4 41.0 1.0
CZ3 A:TRP324 4.8 37.4 1.0
CD1 A:LEU328 4.9 41.1 1.0

Reference:

S.Kang, W.Tang, H.Li, G.Chreifi, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Nitric Oxide Synthase Inhibitors That Interact with Both A Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem. V. 57 4382 2014.
ISSN: ISSN 0022-2623
PubMed: 24758147
DOI: 10.1021/JM5004182
Page generated: Wed Jul 10 12:00:54 2024

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