Iron in PDB 1k2s: Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine

All present enzymatic activity of Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine:
1.14.13.39;

The structure of Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine, PDB code: 1k2s was solved by H.Li, P.Martasek, B.S.S.Masters, T.L.Poulos, C.S.Raman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.61 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.730, 111.030, 165.050, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 28.6

The structure of Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine (pdb code 1k2s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine, PDB code: 1k2s:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:34.8 occ:1.00 FE A:HEM750 0.0 34.8 1.0 NA A:HEM750 2.0 36.2 1.0 NB A:HEM750 2.0 37.4 1.0 ND A:HEM750 2.0 36.0 1.0 NC A:HEM750 2.0 29.9 1.0 SG A:CYS415 2.2 41.3 1.0 C4D A:HEM750 3.0 31.1 1.0 C4A A:HEM750 3.0 32.0 1.0 C1A A:HEM750 3.0 33.5 1.0 C1B A:HEM750 3.0 39.5 1.0 C1C A:HEM750 3.0 32.5 1.0 C4B A:HEM750 3.1 40.5 1.0 C4C A:HEM750 3.1 26.3 1.0 C1D A:HEM750 3.1 36.4 1.0 CB A:CYS415 3.4 38.9 1.0 CHA A:HEM750 3.4 32.0 1.0 CHB A:HEM750 3.4 37.1 1.0 CHC A:HEM750 3.4 37.3 1.0 CHD A:HEM750 3.5 33.7 1.0 C1 A:ARV1780 3.9 26.7 1.0 CA A:CYS415 4.1 36.6 1.0 NH2 A:ARV1780 4.1 35.1 1.0 C3D A:HEM750 4.3 35.9 1.0 C3A A:HEM750 4.3 28.2 1.0 C2C A:HEM750 4.3 29.2 1.0 C2A A:HEM750 4.3 31.6 1.0 C2B A:HEM750 4.3 43.3 1.0 C3C A:HEM750 4.3 29.8 1.0 C2D A:HEM750 4.3 32.0 1.0 C3B A:HEM750 4.3 43.6 1.0 NE1 A:TRP409 4.5 19.8 1.0 C A:CYS415 4.8 35.2 1.0 CZ A:ARV1780 4.8 37.8 1.0 N A:GLY417 4.9 35.7 1.0 N A:VAL416 4.9 32.2 1.0 C2 A:ARV1780 5.0 31.0 1.0

Iron binding site 2 out of 2 in the Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Allyl-L-Arginine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:36.5 occ:1.00 FE B:HEM750 0.0 36.5 1.0 ND B:HEM750 1.9 26.7 1.0 NA B:HEM750 1.9 24.8 1.0 NB B:HEM750 2.0 25.6 1.0 NC B:HEM750 2.0 17.9 1.0 SG B:CYS415 2.2 36.2 1.0 C4D B:HEM750 3.0 31.1 1.0 C1D B:HEM750 3.0 29.7 1.0 C1A B:HEM750 3.0 33.4 1.0 C4A B:HEM750 3.0 31.8 1.0 C1C B:HEM750 3.0 23.1 1.0 C1B B:HEM750 3.0 39.2 1.0 C4B B:HEM750 3.0 29.7 1.0 C4C B:HEM750 3.1 20.6 1.0 CHA B:HEM750 3.4 28.1 1.0 CHC B:HEM750 3.4 25.3 1.0 CHB B:HEM750 3.4 39.5 1.0 CHD B:HEM750 3.4 26.7 1.0 CB B:CYS415 3.6 37.8 1.0 C1 B:ARV2780 3.7 41.6 1.0 NH2 B:ARV2780 3.8 34.5 1.0 C3D B:HEM750 4.2 34.3 1.0 C2D B:HEM750 4.2 28.1 1.0 C3A B:HEM750 4.3 28.8 1.0 C2A B:HEM750 4.3 34.1 1.0 C2C B:HEM750 4.3 19.1 1.0 C2B B:HEM750 4.3 33.3 1.0 C3B B:HEM750 4.3 28.3 1.0 CA B:CYS415 4.3 41.0 1.0 C3C B:HEM750 4.3 21.9 1.0 NE1 B:TRP409 4.4 22.5 1.0 CZ B:ARV2780 4.6 41.9 1.0 C2 B:ARV2780 4.9 47.3 1.0

H.Li, P.Martasek, B.S.S.Masters, T.L.Poulos, C.S.Raman. Structure of Rat Brain Nnos Heme Domain To Be Published.