Iron in PDB 1k2r: Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Nitro-L-Arginine

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

The structure of Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Nitro-L-Arginine, PDB code: 1k2r 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)	29.50 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.650, 110.490, 164.740, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 27

The structure of Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Nitro-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- Nitro-L-Arginine (pdb code 1k2r). 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- Nitro-L-Arginine, PDB code: 1k2r:
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- Nitro-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- Nitro-L-Arginine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:28.0 occ:1.00 FE A:HEM750 0.0 28.0 1.0 ND A:HEM750 2.0 28.6 1.0 NC A:HEM750 2.0 26.5 1.0 NB A:HEM750 2.0 29.0 1.0 NA A:HEM750 2.0 28.8 1.0 SG A:CYS415 2.2 31.9 1.0 C4D A:HEM750 3.0 27.5 1.0 C1B A:HEM750 3.0 28.4 1.0 C1C A:HEM750 3.1 28.6 1.0 C1D A:HEM750 3.1 29.0 1.0 C4B A:HEM750 3.1 29.4 1.0 C4C A:HEM750 3.1 26.2 1.0 C4A A:HEM750 3.1 26.8 1.0 C1A A:HEM750 3.1 26.2 1.0 CB A:CYS415 3.2 27.4 1.0 CHC A:HEM750 3.4 31.7 1.0 CHB A:HEM750 3.4 30.2 1.0 CHD A:HEM750 3.5 26.1 1.0 CHA A:HEM750 3.5 30.0 1.0 CA A:CYS415 3.9 28.6 1.0 NH1 A:NRG1775 4.2 25.4 1.0 C3D A:HEM750 4.3 25.5 1.0 C2B A:HEM750 4.3 27.2 1.0 C2C A:HEM750 4.3 28.4 1.0 C2D A:HEM750 4.3 27.6 1.0 C3C A:HEM750 4.3 29.2 1.0 C3B A:HEM750 4.3 29.5 1.0 C3A A:HEM750 4.3 23.1 1.0 C2A A:HEM750 4.3 24.9 1.0 N1 A:NRG1775 4.4 25.6 1.0 NE1 A:TRP409 4.5 23.0 1.0 CZ A:NRG1775 4.6 28.1 1.0 O3 A:NRG1775 4.7 32.7 1.0 C A:CYS415 4.7 27.5 1.0 NH2 A:NRG1775 4.7 22.3 1.0 N A:VAL416 4.8 27.3 1.0 O2 A:NRG1775 4.8 20.6 1.0 N A:GLY417 4.9 26.1 1.0

Iron binding site 2 out of 2 in the Structure of Rat Brain Nnos Heme Domain Complexed with Ng- Nitro-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- Nitro-L-Arginine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:24.8 occ:1.00 FE B:HEM750 0.0 24.8 1.0 NB B:HEM750 2.0 22.4 1.0 ND B:HEM750 2.0 21.4 1.0 NC B:HEM750 2.0 19.0 1.0 NA B:HEM750 2.0 24.4 1.0 SG B:CYS415 2.2 31.2 1.0 C4D B:HEM750 3.0 24.3 1.0 C1B B:HEM750 3.0 29.6 1.0 C1D B:HEM750 3.0 24.5 1.0 C4C B:HEM750 3.0 20.5 1.0 C1C B:HEM750 3.1 20.4 1.0 C4B B:HEM750 3.1 21.9 1.0 C1A B:HEM750 3.1 25.6 1.0 C4A B:HEM750 3.1 26.5 1.0 CB B:CYS415 3.4 23.3 1.0 CHB B:HEM750 3.4 30.7 1.0 CHD B:HEM750 3.4 26.7 1.0 CHC B:HEM750 3.4 22.0 1.0 CHA B:HEM750 3.4 21.8 1.0 NH1 B:NRG2775 4.0 35.4 1.0 CA B:CYS415 4.1 24.9 1.0 C3D B:HEM750 4.2 24.0 1.0 C2D B:HEM750 4.3 23.9 1.0 C2B B:HEM750 4.3 26.0 1.0 C3C B:HEM750 4.3 18.5 1.0 C2C B:HEM750 4.3 23.9 1.0 C3B B:HEM750 4.3 23.5 1.0 C3A B:HEM750 4.3 20.7 1.0 C2A B:HEM750 4.3 26.5 1.0 N1 B:NRG2775 4.4 26.7 1.0 NE1 B:TRP409 4.4 16.3 1.0 CZ B:NRG2775 4.5 33.4 1.0 O2 B:NRG2775 4.8 26.4 1.0 NH2 B:NRG2775 4.8 31.6 1.0 N B:GLY417 4.8 30.0 1.0 O3 B:NRG2775 4.8 32.0 1.0 C B:CYS415 4.9 29.1 1.0 N B:VAL416 4.9 30.4 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.