Iron in PDB 6de9: Mitoneet Bound to Furosemide

The structure of Mitoneet Bound to Furosemide, PDB code: 6de9 was solved by A.R.Robart, W.J.Geldenhuys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.30 / 1.95
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.830, 58.830, 176.750, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 22.1

The structure of Mitoneet Bound to Furosemide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Mitoneet Bound to Furosemide (pdb code 6de9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Mitoneet Bound to Furosemide, PDB code: 6de9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Mitoneet Bound to Furosemide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mitoneet Bound to Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:42.4 occ:1.00 FE1 A:FES201 0.0 42.4 1.0 S1 A:FES201 2.2 36.4 1.0 S2 A:FES201 2.2 32.4 1.0 SG A:CYS74 2.4 33.0 1.0 SG A:CYS72 2.4 28.4 1.0 FE2 A:FES201 2.7 43.7 1.0 CB A:CYS72 3.4 33.4 1.0 CB A:CYS74 3.4 30.3 1.0 N A:CYS74 3.6 28.4 1.0 CA A:CYS72 3.7 30.9 1.0 N A:ARG73 4.0 31.3 1.0 CA A:CYS74 4.0 28.8 1.0 CB A:HIS87 4.1 34.8 1.0 N A:HIS87 4.2 34.3 1.0 C A:CYS72 4.3 33.5 1.0 ND1 A:HIS87 4.4 40.6 1.0 N A:TRP75 4.4 29.0 1.0 CB A:SER77 4.4 35.2 1.0 C A:CYS74 4.5 28.7 1.0 N A:SER77 4.5 33.2 1.0 CA A:HIS87 4.5 33.0 1.0 N A:ARG76 4.7 30.8 1.0 C A:ARG73 4.7 26.8 1.0 CG A:HIS87 4.7 40.0 1.0 CA A:CYS83 4.8 37.6 1.0 SG A:CYS83 4.8 37.6 1.0 CB A:CYS83 4.8 37.8 1.0 CA A:ARG73 5.0 27.0 1.0 CA A:SER77 5.0 38.4 1.0

Iron binding site 2 out of 2 in the Mitoneet Bound to Furosemide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mitoneet Bound to Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:43.7 occ:1.00 FE2 A:FES201 0.0 43.7 1.0 S2 A:FES201 2.2 32.4 1.0 S1 A:FES201 2.2 36.4 1.0 ND1 A:HIS87 2.3 40.6 1.0 SG A:CYS83 2.4 37.6 1.0 FE1 A:FES201 2.7 42.4 1.0 CE1 A:HIS87 3.2 43.5 1.0 CB A:CYS83 3.3 37.8 1.0 CG A:HIS87 3.3 40.0 1.0 CB A:HIS87 3.6 34.8 1.0 CA A:CYS83 3.9 37.6 1.0 N A:GLY85 4.0 38.8 1.0 N A:HIS87 4.0 34.3 1.0 CD A:PRO100 4.2 27.3 1.0 CB A:PRO100 4.2 31.8 1.0 N A:ASP84 4.2 37.2 1.0 NE2 A:HIS87 4.3 42.6 1.0 CG A:PRO100 4.3 41.5 1.0 CD2 A:HIS87 4.3 41.5 1.0 CA A:GLY85 4.4 36.6 1.0 CA A:HIS87 4.4 33.0 1.0 C A:CYS83 4.4 39.2 1.0 SG A:CYS74 4.5 33.0 1.0 N A:ALA86 4.5 38.9 1.0 CA A:CYS72 4.6 30.9 1.0 C A:GLY85 4.6 41.3 1.0 SG A:CYS72 4.7 28.4 1.0 N A:PRO100 4.7 34.2 1.0 CB A:CYS72 4.8 33.4 1.0 CA A:PRO100 4.9 31.5 1.0

W.J.Geldenhuys, T.Iwasaki, R.A.A.Nunez, R.R.Nair, M.E.Konkle, M.A.Menze, T.E.Long. Mitoneet Bound to Furosemide To Be Published.