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Arsenic in PDB 1dmk: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4- Amino-6-Phenyl-Tetrahydropteridine

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4- Amino-6-Phenyl-Tetrahydropteridine

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4- Amino-6-Phenyl-Tetrahydropteridine:
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4- Amino-6-Phenyl-Tetrahydropteridine, PDB code: 1dmk was solved by P.Kotsonis, L.G.Frohlich, C.S.Raman, H.Li, M.Berg, R.Gerwig, V.Groehn, Y.Kang, N.Al-Masoudi, S.Taghavi-Moghadam, D.Mohr, U.Munch, J.Schnabel, P.Martasek, B.S.Masters, H.Strobel, T.Poulos, H.Matter, W.Pfleiderer, H.H.Schmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.93 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.070, 106.110, 156.210, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 26.4

Other elements in 1dmk:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4- Amino-6-Phenyl-Tetrahydropteridine 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 4- Amino-6-Phenyl-Tetrahydropteridine (pdb code 1dmk). 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 4- Amino-6-Phenyl-Tetrahydropteridine, PDB code: 1dmk:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1dmk

Go back to Arsenic Binding Sites List in 1dmk
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4- Amino-6-Phenyl-Tetrahydropteridine


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 4- Amino-6-Phenyl-Tetrahydropteridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:68.3
occ:1.00
AS A:CAC950 0.0 68.3 1.0
C2 A:CAC950 1.8 61.8 1.0
C1 A:CAC950 1.8 61.2 1.0
SG A:CYS384 2.3 52.1 1.0
CB A:CYS384 3.4 43.6 1.0
CA A:CYS384 4.0 41.5 1.0
O A:HOH1882 4.1 52.7 1.0
O A:HOH2027 4.4 33.0 1.0
CD2 A:LEU328 4.7 37.1 1.0
CE3 A:TRP324 4.7 39.2 1.0
N A:CYS384 4.8 39.6 1.0

Arsenic binding site 2 out of 2 in 1dmk

Go back to Arsenic Binding Sites List in 1dmk
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4- Amino-6-Phenyl-Tetrahydropteridine


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 4- Amino-6-Phenyl-Tetrahydropteridine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:85.0
occ:1.00
AS B:CAC950 0.0 85.0 1.0
C2 B:CAC950 1.8 80.8 1.0
C1 B:CAC950 1.8 81.6 1.0
SG B:CYS384 2.4 73.3 1.0
CB B:CYS384 3.5 62.5 1.0
CA B:CYS384 4.2 59.7 1.0
CE3 B:TRP324 4.4 62.6 1.0
CD2 B:LEU328 4.7 60.6 1.0
CB B:TRP324 4.8 59.4 1.0
CD2 B:TRP324 4.9 62.7 1.0

Reference:

P.Kotsonis, L.G.Frohlich, C.S.Raman, H.Li, M.Berg, R.Gerwig, V.Groehn, Y.Kang, N.Al-Masoudi, S.Taghavi-Moghadam, D.Mohr, U.Munch, J.Schnabel, P.Martasek, B.S.Masters, H.Strobel, T.Poulos, H.Matter, W.Pfleiderer, H.H.Schmidt. Structural Basis For Pterin Antagonism in Nitric-Oxide Synthase. Development of Novel 4-Oxo-Pteridine Antagonists of (6R)-5,6,7,8-Tetrahydrobiopterin J.Biol.Chem. V. 276 49133 2001.
ISSN: ISSN 0021-9258
PubMed: 11590164
DOI: 10.1074/JBC.M011469200
Page generated: Tue Oct 27 16:46:22 2020

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