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Arsenic in PDB 1dm8: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound), PDB code: 1dm8 was solved by C.S.Raman, H.Li, P.Martasek, G.J.Southan, B.S.S.Masters, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.65 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.530, 106.600, 157.080, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 23.9

Other elements in 1dm8:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound) 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 Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound) (pdb code 1dm8). 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 1, 2,4-Triazole-Carboxamidine (H4B Bound), PDB code: 1dm8:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1dm8

Go back to Arsenic Binding Sites List in 1dm8
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B 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 Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:69.0
occ:1.00
 AS A:CAC950 0.0 69.0 1.0
C1 A:CAC950 1.8 57.7 1.0
C2 A:CAC950 1.8 60.4 1.0
SG A:CYS384 2.3 54.6 1.0
CB A:CYS384 3.5 47.3 1.0
CA A:CYS384 4.2 43.1 1.0
CE3 A:TRP324 4.4 42.2 1.0
CD1 A:LEU328 4.5 38.0 1.0
CD2 A:TRP324 4.7 44.7 1.0
O A:HOH1891 4.7 31.5 1.0
CB A:TRP324 4.8 41.9 1.0
CG A:TRP324 4.9 43.3 1.0
CZ3 A:TRP324 5.0 43.0 1.0

Arsenic binding site 2 out of 2 in 1dm8

Go back to Arsenic Binding Sites List in 1dm8
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B 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 Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:80.0
occ:1.00
 AS B:CAC950 0.0 80.0 1.0
C1 B:CAC950 1.8 75.6 1.0
C2 B:CAC950 1.8 76.2 1.0
SG B:CYS384 2.3 71.9 1.0
CB B:CYS384 3.1 61.4 1.0
CA B:CYS384 3.6 58.8 1.0
CE3 B:TRP324 4.4 61.7 1.0
N B:CYS384 4.6 57.1 1.0
CD2 B:TRP324 4.6 62.8 1.0
C B:CYS384 4.7 58.4 1.0
CB B:TRP324 4.8 61.5 1.0
CG B:TRP324 4.8 63.0 1.0
O B:CYS384 4.8 57.6 1.0

Reference:

C.S.Raman, H.Li, P.Martasek, G.J.Southan, B.S.S.Masters, T.L.Poulos. Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Various Inhibitors To Be Published.
Page generated: Wed Jul 10 11:00:44 2024

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