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Arsenic in PDB 1dmi: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B:
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B, PDB code: 1dmi was solved by C.S.Raman, H.Li, P.Martasek, P.Kotsonis, W.Pfleiderer, H.H.H.W.Schmidt, 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) 32.59 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.630, 106.560, 156.790, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 26.4

Other elements in 1dmi:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B 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 6S-H4B (pdb code 1dmi). 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 6S-H4B, PDB code: 1dmi:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1dmi

Go back to Arsenic Binding Sites List in 1dmi
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B


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 6S-H4B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:75.2
occ:1.00
AS A:CAC950 0.0 75.2 1.0
C1 A:CAC950 1.8 69.1 1.0
C2 A:CAC950 1.8 69.3 1.0
SG A:CYS384 2.3 60.8 1.0
CB A:CYS384 3.1 51.3 1.0
CA A:CYS384 3.8 48.5 1.0
CE3 A:TRP324 4.2 47.6 1.0
CD2 A:TRP324 4.5 48.1 1.0
CD1 A:LEU328 4.6 47.2 1.0
CB A:TRP324 4.7 47.7 1.0
CG A:TRP324 4.7 48.7 1.0
N A:CYS384 4.7 46.1 1.0
O A:HOH2073 4.7 34.2 1.0
CZ3 A:TRP324 4.9 48.1 1.0
C A:CYS384 4.9 48.5 1.0
O A:CYS384 5.0 48.0 1.0

Arsenic binding site 2 out of 2 in 1dmi

Go back to Arsenic Binding Sites List in 1dmi
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B


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 6S-H4B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:89.4
occ:1.00
AS B:CAC950 0.0 89.4 1.0
C2 B:CAC950 1.8 85.3 1.0
C1 B:CAC950 1.8 85.2 1.0
SG B:CYS384 2.3 79.0 1.0
CB B:CYS384 3.0 70.8 1.0
CA B:CYS384 3.8 68.6 1.0
CE3 B:TRP324 4.0 71.1 1.0
CD2 B:TRP324 4.2 71.1 1.0
CB B:TRP324 4.3 69.7 1.0
CG B:TRP324 4.4 70.8 1.0
CZ3 B:TRP324 4.7 71.0 1.0
C B:CYS384 4.7 68.0 1.0
O B:CYS384 4.7 67.6 1.0
N B:CYS384 4.8 66.8 1.0

Reference:

C.S.Raman, H.Li, P.Martasek, P.Kotsonis, W.Pfleiderer, H.H.H.W.Schmidt, G.J.Southan, B.S.S.Masters, T.L.Poulos. Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with the Pterin Analogues To Be Published.
Page generated: Tue Oct 27 16:46:22 2020

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