Iron in PDB 3hsp: Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2)

All present enzymatic activity of Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2):
1.14.13.39;

The structure of Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2), PDB code: 3hsp was solved by T.Doukov, H.Li, M.Soltis, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.82 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.820, 110.560, 164.530, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 21.7

The structure of Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2) also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2) (pdb code 3hsp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2), PDB code: 3hsp:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:25.1 occ:1.00 FE A:HEM750 0.0 25.1 1.0 N A:NO752 1.8 42.0 1.0 NC A:HEM750 2.0 20.0 1.0 NA A:HEM750 2.1 23.7 1.0 NB A:HEM750 2.1 28.9 1.0 ND A:HEM750 2.1 27.3 1.0 SG A:CYS415 2.4 22.7 1.0 O A:NO752 2.9 36.6 1.0 C4C A:HEM750 3.0 18.3 1.0 C1C A:HEM750 3.0 21.5 1.0 C1A A:HEM750 3.1 20.9 1.0 C4B A:HEM750 3.1 23.6 1.0 C4A A:HEM750 3.1 25.3 1.0 C1D A:HEM750 3.1 24.8 1.0 C4D A:HEM750 3.1 24.5 1.0 C1B A:HEM750 3.1 30.0 1.0 CHD A:HEM750 3.4 21.7 1.0 CHC A:HEM750 3.4 23.3 1.0 CB A:CYS415 3.4 22.9 1.0 CHA A:HEM750 3.5 21.8 1.0 CHB A:HEM750 3.5 16.6 1.0 CA A:CYS415 4.2 24.1 1.0 C3C A:HEM750 4.2 19.5 1.0 C2C A:HEM750 4.2 23.0 1.0 C2A A:HEM750 4.3 24.9 1.0 NH1 A:HAR770 4.3 35.4 1.0 C3A A:HEM750 4.3 22.4 1.0 C3B A:HEM750 4.3 30.8 1.0 C2B A:HEM750 4.3 30.4 1.0 C2D A:HEM750 4.3 25.8 1.0 C3D A:HEM750 4.3 22.7 1.0 NE1 A:TRP409 4.4 20.6 1.0 OH1 A:HAR770 4.5 35.4 1.0 CZ A:HAR770 4.7 31.2 1.0 C A:CYS415 5.0 26.1 1.0 N A:GLY417 5.0 21.1 1.0

Iron binding site 2 out of 2 in the Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ternary Structure of Neuronal Nitric Oxide Synthase with Nha and No Bound(2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:19.8 occ:1.00 FE B:HEM750 0.0 19.8 1.0 N B:NO752 1.8 34.9 1.0 NC B:HEM750 1.9 18.5 1.0 NB B:HEM750 2.1 17.1 1.0 ND B:HEM750 2.1 16.2 1.0 NA B:HEM750 2.1 15.7 1.0 SG B:CYS415 2.4 23.4 1.0 O B:NO752 2.9 37.0 1.0 C4C B:HEM750 2.9 23.2 1.0 C1C B:HEM750 3.0 18.3 1.0 C1D B:HEM750 3.0 21.3 1.0 C4B B:HEM750 3.1 25.5 1.0 C1B B:HEM750 3.1 20.7 1.0 C1A B:HEM750 3.1 20.2 1.0 C4D B:HEM750 3.1 20.9 1.0 C4A B:HEM750 3.1 21.0 1.0 CHD B:HEM750 3.3 22.8 1.0 CHC B:HEM750 3.4 20.6 1.0 CB B:CYS415 3.4 19.2 1.0 CHB B:HEM750 3.5 21.5 1.0 CHA B:HEM750 3.5 20.9 1.0 C3C B:HEM750 4.1 15.7 1.0 C2C B:HEM750 4.1 19.5 1.0 CA B:CYS415 4.2 16.4 1.0 C3B B:HEM750 4.3 34.2 1.0 C2B B:HEM750 4.3 28.6 1.0 C2D B:HEM750 4.3 13.7 1.0 C2A B:HEM750 4.3 20.4 1.0 C3A B:HEM750 4.3 18.7 1.0 C3D B:HEM750 4.3 20.4 1.0 NH1 B:HAR1770 4.4 29.6 1.0 NE1 B:TRP409 4.4 20.4 1.0 OH1 B:HAR1770 4.6 40.1 1.0 CZ B:HAR1770 4.6 32.7 1.0 N B:GLY417 4.9 24.3 1.0 NH2 B:HAR1770 4.9 22.2 1.0 C B:CYS415 5.0 22.3 1.0

T.Doukov, H.Li, M.Soltis, T.L.Poulos. Single Crystal Structural and Absorption Spectral Characterizations of Nitric Oxide Synthase Complexed with N(Omega)-Hydroxy-L-Arginine and Diatomic Ligands. Biochemistry V. 48 10246 2009.
ISSN: ISSN 0006-2960
PubMed: 19791770
DOI: 10.1021/BI9009743