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Iron in PDB 1r35: Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine

Enzymatic activity of Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine

All present enzymatic activity of Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine:
1.14.13.39;

Protein crystallography data

The structure of Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine, PDB code: 1r35 was solved by H.S.Shieh, A.M.Stevens, W.C.Stallings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.30
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 214.280, 214.280, 117.130, 90.00, 90.00, 120.00
R / Rfree (%) 25.2 / 28.5

Other elements in 1r35:

The structure of Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine (pdb code 1r35). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine, PDB code: 1r35:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1r35

Go back to Iron Binding Sites List in 1r35
Iron binding site 1 out of 2 in the Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:29.6
occ:1.00
 FE A:HEM901 0.0 29.6 1.0
ND A:HEM901 2.0 44.4 1.0
NA A:HEM901 2.0 43.1 1.0
NC A:HEM901 2.0 45.4 1.0
NB A:HEM901 2.0 40.9 1.0
SG A:CYS194 2.3 37.6 1.0
C1D A:HEM901 3.0 43.2 1.0
C4A A:HEM901 3.0 38.2 1.0
C4C A:HEM901 3.0 44.6 1.0
C1B A:HEM901 3.1 38.5 1.0
C1C A:HEM901 3.1 43.4 1.0
C1A A:HEM901 3.1 42.1 1.0
C4D A:HEM901 3.1 45.1 1.0
C4B A:HEM901 3.1 40.0 1.0
CB A:CYS194 3.2 37.8 1.0
CHD A:HEM901 3.4 39.5 1.0
CHB A:HEM901 3.4 37.7 1.0
CHC A:HEM901 3.5 40.6 1.0
CHA A:HEM901 3.5 41.2 1.0
CA A:CYS194 4.1 37.7 1.0
CT A:I58800 4.2 42.7 1.0
C2D A:HEM901 4.3 41.3 1.0
C3A A:HEM901 4.3 42.0 1.0
C2B A:HEM901 4.3 40.9 1.0
C3C A:HEM901 4.3 43.7 1.0
C3D A:HEM901 4.3 42.7 1.0
C2C A:HEM901 4.3 45.5 1.0
C2A A:HEM901 4.3 36.5 1.0
C3B A:HEM901 4.3 39.2 1.0
NE1 A:TRP188 4.4 37.6 1.0
CX A:I58800 4.6 53.0 1.0
CE A:I58800 4.8 45.6 1.0
N A:GLY196 4.8 37.2 1.0
C A:CYS194 4.8 38.1 1.0
N A:ILE195 5.0 38.4 1.0

Iron binding site 2 out of 2 in 1r35

Go back to Iron Binding Sites List in 1r35
Iron binding site 2 out of 2 in the Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Murine Inducible Nitric Oxide Synthase Oxygenase Dimer, Tetrahydrobiopterin and 4R-Fluoro-N6-Ethanimidoyl-L-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe901

b:37.9
occ:1.00
 FE B:HEM901 0.0 37.9 1.0
ND B:HEM901 2.0 42.2 1.0
NA B:HEM901 2.0 39.4 1.0
NC B:HEM901 2.0 45.6 1.0
NB B:HEM901 2.0 37.7 1.0
SG B:CYS194 2.6 41.7 1.0
C1D B:HEM901 3.0 40.6 1.0
C4A B:HEM901 3.0 36.4 1.0
C4C B:HEM901 3.0 43.9 1.0
C1B B:HEM901 3.1 38.0 1.0
C4D B:HEM901 3.1 42.5 1.0
C1A B:HEM901 3.1 39.1 1.0
C1C B:HEM901 3.1 44.5 1.0
C4B B:HEM901 3.1 38.8 1.0
CB B:CYS194 3.3 39.5 1.0
CHD B:HEM901 3.4 38.8 1.0
CHB B:HEM901 3.4 36.6 1.0
CHA B:HEM901 3.4 38.3 1.0
CHC B:HEM901 3.5 42.3 1.0
CT B:I581800 4.1 45.5 1.0
CA B:CYS194 4.2 37.1 1.0
C2D B:HEM901 4.2 40.2 1.0
C3A B:HEM901 4.3 40.0 1.0
C3D B:HEM901 4.3 42.5 1.0
C2A B:HEM901 4.3 32.3 1.0
C3C B:HEM901 4.3 44.6 1.0
C2B B:HEM901 4.3 40.9 1.0
C2C B:HEM901 4.3 46.4 1.0
C3B B:HEM901 4.4 39.3 1.0
NE1 B:TRP188 4.4 36.6 1.0
CX B:I581800 4.6 50.3 1.0
CE B:I581800 4.7 44.8 1.0
N B:GLY196 4.8 40.7 1.0
C B:CYS194 4.9 38.5 1.0

Reference:

E.A.Hallinan, S.W.Kramer, S.C.Houdek, W.M.Moore, G.M.Jerome, D.P.Spangler, A.M.Stevens, H.S.Shieh, P.T.Manning, B.S.Pitzele. 4-Fluorinated L-Lysine Analogs As Selective I-Nos Inhibitors: Methodology For Introducing Fluorine Into the Lysine Side Chain. Org.Biomol.Chem. V. 1 3527 2003.
ISSN: ISSN 1477-0520
PubMed: 14599013
DOI: 10.1039/B307563J
Page generated: Sat Aug 3 13:59:49 2024

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