Iron in PDB 4fdk: F78L Tt H-Nox

The structure of F78L Tt H-Nox, PDB code: 4fdk was solved by E.E.Weinert, C.M.Phillips-Piro, M.A.Marletta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.97 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.552, 127.426, 42.935, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 23.1

The binding sites of Iron atom in the F78L Tt H-Nox (pdb code 4fdk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the F78L Tt H-Nox, PDB code: 4fdk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the F78L Tt H-Nox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of F78L Tt H-Nox within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:28.0 occ:1.00 FE A:HEM500 0.0 28.0 1.0 NB A:HEM500 1.9 26.3 1.0 NC A:HEM500 2.0 27.6 1.0 ND A:HEM500 2.0 22.5 1.0 NA A:HEM500 2.0 28.6 1.0 O2 A:OXY501 2.1 27.8 1.0 NE2 A:HIS102 2.1 26.7 1.0 O1 A:OXY501 2.5 24.0 1.0 C1D A:HEM500 2.9 26.4 1.0 C4C A:HEM500 3.0 23.3 1.0 C4B A:HEM500 3.0 21.0 1.0 C1B A:HEM500 3.0 25.4 1.0 C4A A:HEM500 3.0 28.7 1.0 C1C A:HEM500 3.0 21.4 1.0 C4D A:HEM500 3.0 23.3 1.0 CE1 A:HIS102 3.1 26.0 1.0 C1A A:HEM500 3.1 25.6 1.0 CD2 A:HIS102 3.1 24.5 1.0 HE1 A:HIS102 3.2 31.2 1.0 CHD A:HEM500 3.3 24.8 1.0 HD2 A:HIS102 3.3 29.4 1.0 CHC A:HEM500 3.4 22.4 1.0 CHB A:HEM500 3.4 27.6 1.0 CHA A:HEM500 3.5 22.3 1.0 HD13 A:ILE5 3.9 34.2 1.0 C2D A:HEM500 4.1 20.2 1.0 HD13 A:LEU144 4.2 31.8 1.0 C3B A:HEM500 4.2 23.6 1.0 HHD A:HEM500 4.2 29.7 1.0 ND1 A:HIS102 4.2 36.5 1.0 C3D A:HEM500 4.2 30.4 1.0 C3C A:HEM500 4.2 19.5 1.0 HG12 A:ILE5 4.2 33.9 1.0 C2B A:HEM500 4.2 24.6 1.0 C3A A:HEM500 4.2 26.6 1.0 HE2 A:TYR140 4.2 29.7 1.0 C2C A:HEM500 4.2 23.4 1.0 CG A:HIS102 4.3 29.4 1.0 C2A A:HEM500 4.3 29.4 1.0 HD11 A:ILE5 4.3 34.2 1.0 HH A:TYR140 4.3 31.5 1.0 HHC A:HEM500 4.4 26.9 1.0 HHB A:HEM500 4.4 33.1 1.0 HHA A:HEM500 4.4 26.7 1.0 HD11 A:LEU144 4.4 31.8 1.0 CD1 A:ILE5 4.5 28.5 1.0 HD11 A:LEU117 4.6 32.5 1.0 HG3 A:PRO115 4.6 31.3 1.0 CD1 A:LEU144 4.7 26.5 1.0 CG1 A:ILE5 4.9 28.2 1.0 HD1 A:HIS102 5.0 43.8 1.0 CE2 A:TYR140 5.0 24.8 1.0

Iron binding site 2 out of 2 in the F78L Tt H-Nox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of F78L Tt H-Nox within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:28.5 occ:1.00 FE B:HEM500 0.0 28.5 1.0 NC B:HEM500 1.9 22.1 1.0 NA B:HEM500 2.0 34.6 1.0 NB B:HEM500 2.0 36.0 1.0 ND B:HEM500 2.1 27.8 1.0 NE2 B:HIS102 2.1 24.1 1.0 O1 B:OXY501 2.2 28.4 1.0 O2 B:OXY501 2.3 39.4 1.0 C4C B:HEM500 2.9 27.9 1.0 C1C B:HEM500 3.0 30.3 1.0 CE1 B:HIS102 3.0 30.4 1.0 C1A B:HEM500 3.0 41.7 1.0 C4B B:HEM500 3.0 24.4 1.0 C4A B:HEM500 3.0 36.4 1.0 C4D B:HEM500 3.0 25.9 1.0 C1D B:HEM500 3.0 27.4 1.0 HE1 B:HIS102 3.1 36.5 1.0 C1B B:HEM500 3.1 29.6 1.0 CD2 B:HIS102 3.2 30.2 1.0 CHC B:HEM500 3.3 25.4 1.0 CHD B:HEM500 3.4 23.8 1.0 CHA B:HEM500 3.4 31.8 1.0 HD2 B:HIS102 3.4 36.2 1.0 CHB B:HEM500 3.4 32.0 1.0 HD13 B:LEU144 4.0 35.3 1.0 C3C B:HEM500 4.1 17.6 1.0 ND1 B:HIS102 4.1 31.6 1.0 C2C B:HEM500 4.2 24.4 1.0 C3A B:HEM500 4.2 31.3 1.0 C2A B:HEM500 4.2 31.1 1.0 HE2 B:TYR140 4.2 34.7 1.0 C3D B:HEM500 4.2 27.7 1.0 C2D B:HEM500 4.3 21.8 1.0 HHC B:HEM500 4.3 30.4 1.0 CG B:HIS102 4.3 29.9 1.0 C3B B:HEM500 4.3 32.7 1.0 HD13 B:ILE5 4.3 42.0 1.0 HD11 B:LEU117 4.3 37.2 1.0 HHA B:HEM500 4.3 38.1 1.0 C2B B:HEM500 4.3 34.9 1.0 HHD B:HEM500 4.3 28.5 1.0 HD11 B:LEU144 4.3 35.3 1.0 HH B:TYR140 4.4 32.0 1.0 HD11 B:ILE5 4.4 42.0 1.0 HHB B:HEM500 4.4 38.4 1.0 CD1 B:LEU144 4.6 29.4 1.0 HG12 B:ILE5 4.7 37.8 1.0 CD1 B:ILE5 4.8 35.0 1.0 HD1 B:HIS102 4.9 37.9 1.0 HG3 B:PRO115 4.9 41.7 1.0 CE2 B:TYR140 5.0 28.9 1.0

E.E.Weinert, C.M.Phillips-Piro, M.A.Marletta. Porphyrin Pi-Stacking in A Heme Protein Scaffold Tunes Gas Ligand Affinity. J.Inorg.Biochem. V.127C 7 2013.
ISSN: ISSN 0162-0134
PubMed: 23831583
DOI: 10.1016/J.JINORGBIO.2013.06.004