Iron in PDB 5ixr: Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole

The structure of Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole, PDB code: 5ixr was solved by V.Kumar, F.Van Den Akker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.51 / 2.50
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	123.051, 123.051, 123.051, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 17.4

The binding sites of Iron atom in the Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole (pdb code 5ixr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole, PDB code: 5ixr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:47.6 occ:1.00 FE A:HEM201 0.0 47.6 1.0 ND A:HEM201 1.9 41.5 1.0 NE2 A:HIS105 2.0 44.4 1.0 NA A:HEM201 2.0 43.8 1.0 N3 A:IMD202 2.0 76.4 1.0 NC A:HEM201 2.1 40.2 1.0 NB A:HEM201 2.1 46.9 1.0 CE1 A:HIS105 2.8 43.8 1.0 C1D A:HEM201 2.9 42.5 1.0 C4D A:HEM201 2.9 44.7 1.0 C4 A:IMD202 3.0 80.3 1.0 C4C A:HEM201 3.0 37.7 1.0 C1A A:HEM201 3.0 49.4 1.0 C1B A:HEM201 3.0 45.7 1.0 C4A A:HEM201 3.0 49.4 1.0 C4B A:HEM201 3.0 47.5 1.0 C2 A:IMD202 3.0 81.3 1.0 C1C A:HEM201 3.1 43.9 1.0 CD2 A:HIS105 3.1 47.2 1.0 CHD A:HEM201 3.3 39.1 1.0 CHA A:HEM201 3.4 49.1 1.0 CHB A:HEM201 3.4 44.0 1.0 CHC A:HEM201 3.5 47.9 1.0 ND1 A:HIS105 4.0 39.9 1.0 C2D A:HEM201 4.1 45.0 1.0 CG A:HIS105 4.2 43.6 1.0 C5 A:IMD202 4.2 74.5 1.0 C3D A:HEM201 4.2 49.0 1.0 NE1 A:TRP74 4.2 52.1 1.0 N1 A:IMD202 4.2 71.3 1.0 C3A A:HEM201 4.2 48.6 1.0 C2B A:HEM201 4.2 44.6 1.0 C3C A:HEM201 4.2 38.6 1.0 C2A A:HEM201 4.2 45.7 1.0 C3B A:HEM201 4.2 46.3 1.0 C2C A:HEM201 4.3 40.1 1.0 CE2 A:TRP74 4.8 48.1 1.0 CZ2 A:TRP74 4.8 49.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:48.2 occ:1.00 FE B:HEM501 0.0 48.2 1.0 ND B:HEM501 1.9 42.5 1.0 NA B:HEM501 2.0 46.6 1.0 NE2 B:HIS105 2.0 53.9 1.0 N1 B:IMD502 2.0 98.0 1.0 NB B:HEM501 2.1 45.0 1.0 NC B:HEM501 2.1 41.6 1.0 CE1 B:HIS105 2.7 52.0 1.0 C1D B:HEM501 2.9 39.8 1.0 C4D B:HEM501 2.9 45.9 1.0 C5 B:IMD502 2.9 0.4 1.0 C4B B:HEM501 3.0 46.2 1.0 C4A B:HEM501 3.0 45.9 1.0 C1A B:HEM501 3.0 47.8 1.0 C1B B:HEM501 3.0 49.1 1.0 C2 B:IMD502 3.1 0.1 1.0 C4C B:HEM501 3.1 41.5 1.0 C1C B:HEM501 3.1 39.0 1.0 CD2 B:HIS105 3.2 57.2 1.0 CHD B:HEM501 3.4 43.5 1.0 CHA B:HEM501 3.4 45.0 1.0 CHB B:HEM501 3.4 44.0 1.0 CHC B:HEM501 3.5 38.3 1.0 ND1 B:HIS105 4.0 48.1 1.0 NE1 B:TRP74 4.0 54.1 1.0 C4 B:IMD502 4.1 0.1 1.0 C2D B:HEM501 4.1 38.0 1.0 N3 B:IMD502 4.2 91.6 1.0 C3D B:HEM501 4.2 45.2 1.0 C3A B:HEM501 4.2 43.5 1.0 C2A B:HEM501 4.2 47.1 1.0 CG B:HIS105 4.2 47.8 1.0 C2B B:HEM501 4.2 51.3 1.0 C3B B:HEM501 4.3 48.0 1.0 C2C B:HEM501 4.3 45.6 1.0 C3C B:HEM501 4.3 44.4 1.0 CE2 B:TRP74 4.7 55.2 1.0 CZ2 B:TRP74 4.8 50.1 1.0 CD1 B:TRP74 4.9 55.5 1.0

V.Kumar, F.Van Den Akker. Crystal Structure of C139A Nostoc H-Nox Domain with Imidazole To Be Published.