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Arsenic in PDB 1q2o: Bovine Endothelial Nitric Oxide Synthase N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide Bound

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide Bound

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide Bound:
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide Bound, PDB code: 1q2o 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) 48.44 / 1.74
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.908, 106.989, 156.989, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22

Other elements in 1q2o:

The structure of Bovine Endothelial Nitric Oxide Synthase N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide 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 N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide Bound (pdb code 1q2o). 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 N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide Bound, PDB code: 1q2o:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1q2o

Go back to Arsenic Binding Sites List in 1q2o
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide 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 N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As850

b:93.6
occ:1.00
AS A:CAC850 0.0 93.6 1.0
C2 A:CAC850 1.8 92.7 1.0
C1 A:CAC850 1.8 93.1 1.0
SG A:CYS384 3.0 25.5 1.0
CB A:CYS384 3.7 24.1 1.0
CA A:CYS384 4.3 22.1 1.0
CE3 A:TRP324 4.9 21.7 1.0
O A:HOH1014 4.9 34.5 1.0
O A:HOH1150 5.0 44.6 1.0

Arsenic binding site 2 out of 2 in 1q2o

Go back to Arsenic Binding Sites List in 1q2o
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide 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 N368D Mutant Heme Domain Dimer with L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyramide Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As851

b:98.7
occ:1.00
AS B:CAC851 0.0 98.7 1.0
C1 B:CAC851 1.8 97.4 1.0
C2 B:CAC851 1.8 98.1 1.0
SG B:CYS384 2.9 34.2 1.0
CB B:CYS384 3.7 31.4 1.0
O B:HOH1016 4.1 55.9 1.0
CA B:CYS384 4.2 31.3 1.0
CE3 B:TRP324 4.7 25.9 1.0
CB B:TRP324 4.9 27.8 1.0
CD2 B:TRP324 4.9 27.4 1.0
CG B:TRP324 5.0 27.5 1.0

Reference:

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
Page generated: Tue Oct 27 16:47:16 2020

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