Iron in PDB 2nsi: Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex

All present enzymatic activity of Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex:
1.14.13.39;

The structure of Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex, PDB code: 2nsi was solved by H.Li, C.S.Raman, C.B.Glaser, E.Blasko, T.A.Young, J.F.Parkinson, M.Whitlow, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	188.370, 188.370, 230.160, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 23.8

The binding sites of Iron atom in the Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex (pdb code 2nsi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex, PDB code: 2nsi:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe550 b:24.5 occ:1.00 FE A:HEM550 0.0 24.5 1.0 NC A:HEM550 1.9 24.2 1.0 ND A:HEM550 1.9 34.5 1.0 NA A:HEM550 2.0 29.4 1.0 NB A:HEM550 2.0 23.6 1.0 SG A:CYS200 2.2 23.8 1.0 C4C A:HEM550 3.0 30.9 1.0 C1D A:HEM550 3.0 31.0 1.0 C1C A:HEM550 3.0 29.5 1.0 C4D A:HEM550 3.0 32.9 1.0 C1A A:HEM550 3.0 27.8 1.0 C4A A:HEM550 3.0 30.3 1.0 C4B A:HEM550 3.0 19.7 1.0 C1B A:HEM550 3.0 20.9 1.0 CB A:CYS200 3.2 25.9 1.0 CHD A:HEM550 3.3 28.3 1.0 CHC A:HEM550 3.4 23.3 1.0 CHA A:HEM550 3.4 27.8 1.0 CHB A:HEM550 3.4 21.5 1.0 S A:ITU800 3.5 54.9 1.0 CA A:CYS200 3.9 33.8 1.0 C1 A:ITU800 4.2 61.3 1.0 C3C A:HEM550 4.2 33.2 1.0 C2D A:HEM550 4.2 32.0 1.0 C2C A:HEM550 4.2 32.4 1.0 C3D A:HEM550 4.2 34.1 1.0 C2A A:HEM550 4.2 30.9 1.0 C3A A:HEM550 4.3 30.0 1.0 C3B A:HEM550 4.3 25.5 1.0 C2B A:HEM550 4.3 20.2 1.0 NE1 A:TRP194 4.4 30.9 1.0 C2 A:ITU800 4.5 56.6 1.0 C3 A:ITU800 4.5 47.8 1.0 C A:CYS200 4.6 36.5 1.0 N A:ILE201 4.7 40.2 1.0 N A:GLY202 4.8 35.1 1.0 N2 A:ITU800 4.8 51.1 1.0

Iron binding site 2 out of 4 in the Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe550 b:29.5 occ:1.00 FE B:HEM550 0.0 29.5 1.0 NC B:HEM550 1.9 26.6 1.0 NB B:HEM550 1.9 25.4 1.0 NA B:HEM550 2.0 31.4 1.0 ND B:HEM550 2.0 28.5 1.0 SG B:CYS200 2.2 32.1 1.0 C1C B:HEM550 3.0 31.1 1.0 C4C B:HEM550 3.0 29.5 1.0 C1D B:HEM550 3.0 28.5 1.0 C4B B:HEM550 3.0 28.3 1.0 C1B B:HEM550 3.0 29.6 1.0 C4D B:HEM550 3.0 29.8 1.0 C4A B:HEM550 3.0 30.1 1.0 C1A B:HEM550 3.0 35.7 1.0 CB B:CYS200 3.2 23.0 1.0 CHC B:HEM550 3.3 33.0 1.0 CHD B:HEM550 3.4 24.7 1.0 CHA B:HEM550 3.4 35.2 1.0 CHB B:HEM550 3.4 23.5 1.0 S B:ITU801 3.5 63.0 1.0 CA B:CYS200 3.9 33.6 1.0 C1 B:ITU801 4.1 72.0 1.0 C2C B:HEM550 4.2 31.2 1.0 C3C B:HEM550 4.2 32.2 1.0 C2D B:HEM550 4.2 27.9 1.0 C3B B:HEM550 4.2 30.7 1.0 C2B B:HEM550 4.2 29.4 1.0 C3D B:HEM550 4.2 28.6 1.0 C3A B:HEM550 4.2 32.4 1.0 C2A B:HEM550 4.3 31.5 1.0 NE1 B:TRP194 4.4 43.9 1.0 C2 B:ITU801 4.4 67.7 1.0 C3 B:ITU801 4.5 66.5 1.0 C B:CYS200 4.7 38.6 1.0 N B:ILE201 4.7 38.4 1.0 N B:GLY202 4.7 32.2 1.0 N2 B:ITU801 4.7 70.5 1.0

Iron binding site 3 out of 4 in the Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe550 b:48.7 occ:1.00 FE C:HEM550 0.0 48.7 1.0 NA C:HEM550 1.9 26.7 1.0 ND C:HEM550 1.9 34.2 1.0 NC C:HEM550 1.9 25.4 1.0 NB C:HEM550 2.0 32.6 1.0 SG C:CYS200 2.2 29.0 1.0 C4A C:HEM550 2.9 35.7 1.0 C1A C:HEM550 2.9 33.6 1.0 C4D C:HEM550 3.0 31.6 1.0 C1D C:HEM550 3.0 37.1 1.0 C4C C:HEM550 3.0 34.2 1.0 C1B C:HEM550 3.0 29.0 1.0 C1C C:HEM550 3.0 31.8 1.0 C4B C:HEM550 3.0 32.7 1.0 CB C:CYS200 3.2 32.6 1.0 CHA C:HEM550 3.3 33.9 1.0 CHB C:HEM550 3.3 33.1 1.0 CHD C:HEM550 3.4 36.3 1.0 CHC C:HEM550 3.4 33.9 1.0 S C:ITU802 3.4 57.4 1.0 CA C:CYS200 3.9 33.4 1.0 C1 C:ITU802 4.1 74.2 1.0 C2A C:HEM550 4.2 29.6 1.0 C3A C:HEM550 4.2 34.3 1.0 C3D C:HEM550 4.2 32.9 1.0 C2D C:HEM550 4.2 32.4 1.0 C2B C:HEM550 4.2 28.1 1.0 C2C C:HEM550 4.2 35.0 1.0 C3C C:HEM550 4.2 37.3 1.0 C3B C:HEM550 4.2 31.1 1.0 C2 C:ITU802 4.4 65.3 1.0 NE1 C:TRP194 4.4 42.2 1.0 C3 C:ITU802 4.5 56.0 1.0 C C:CYS200 4.7 34.5 1.0 N2 C:ITU802 4.7 59.7 1.0 N C:ILE201 4.7 32.8 1.0 N C:GLY202 4.8 30.4 1.0

Iron binding site 4 out of 4 in the Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human Inducible Nitric Oxide Synthase, Zn-Free, Seitu Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe550 b:64.0 occ:1.00 FE D:HEM550 0.0 64.0 1.0 ND D:HEM550 1.9 52.6 1.0 NC D:HEM550 1.9 52.3 1.0 NA D:HEM550 2.0 49.1 1.0 NB D:HEM550 2.0 46.0 1.0 SG D:CYS200 2.3 48.5 1.0 C1D D:HEM550 2.9 59.1 1.0 C4C D:HEM550 3.0 56.5 1.0 C4D D:HEM550 3.0 54.4 1.0 C1C D:HEM550 3.0 53.8 1.0 C1A D:HEM550 3.0 50.4 1.0 C4A D:HEM550 3.0 51.4 1.0 C4B D:HEM550 3.1 42.1 1.0 C1B D:HEM550 3.1 46.7 1.0 CB D:CYS200 3.2 49.2 1.0 CHD D:HEM550 3.3 60.3 1.0 CHA D:HEM550 3.4 53.2 1.0 CHC D:HEM550 3.4 41.9 1.0 CHB D:HEM550 3.4 48.9 1.0 S D:ITU803 3.5 86.4 1.0 CA D:CYS200 3.9 50.2 1.0 C1 D:ITU803 4.2 87.0 1.0 C2D D:HEM550 4.2 59.6 1.0 C3D D:HEM550 4.2 54.5 1.0 C3C D:HEM550 4.2 59.8 1.0 C2C D:HEM550 4.2 58.4 1.0 C2A D:HEM550 4.2 52.3 1.0 C3A D:HEM550 4.3 50.7 1.0 C3B D:HEM550 4.3 47.9 1.0 C2B D:HEM550 4.3 45.8 1.0 NE1 D:TRP194 4.4 72.1 1.0 C2 D:ITU803 4.5 89.9 1.0 C3 D:ITU803 4.5 86.8 1.0 C D:CYS200 4.7 51.0 1.0 N D:ILE201 4.7 52.4 1.0 N2 D:ITU803 4.8 86.3 1.0 N D:GLY202 4.8 52.1 1.0

H.Li, C.S.Raman, C.B.Glaser, E.Blasko, T.A.Young, J.F.Parkinson, M.Whitlow, T.L.Poulos. Crystal Structures of Zinc-Free and -Bound Heme Domain of Human Inducible Nitric-Oxide Synthase. Implications For Dimer Stability and Comparison with Endothelial Nitric-Oxide Synthase. J.Biol.Chem. V. 274 21276 1999.
ISSN: ISSN 0021-9258
PubMed: 10409685
DOI: 10.1074/JBC.274.30.21276