Iron in PDB 7ah0: Crystal Structure of the De Novo Designed Two-Heme Binding Protein, 4D2

The structure of Crystal Structure of the De Novo Designed Two-Heme Binding Protein, 4D2, PDB code: 7ah0 was solved by G.H.Hutchins, A.E.Parnell, J.L.R.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.24 / 1.91
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	81.25, 81.25, 59.06, 90, 90, 120
R / Rfree (%)	20.5 / 24.4

The binding sites of Iron atom in the Crystal Structure of the De Novo Designed Two-Heme Binding Protein, 4D2 (pdb code 7ah0). 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 the De Novo Designed Two-Heme Binding Protein, 4D2, PDB code: 7ah0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the De Novo Designed Two-Heme Binding Protein, 4D2


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 the De Novo Designed Two-Heme Binding Protein, 4D2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:29.5 occ:1.00 FE A:HEM201 0.0 29.5 1.0 ND A:HEM201 1.9 37.2 1.0 NA A:HEM201 2.0 35.8 1.0 NE2 A:HIS9 2.0 30.2 1.0 NE2 A:HIS67 2.1 29.9 1.0 NB A:HEM201 2.1 31.2 1.0 NC A:HEM201 2.1 32.3 1.0 CE1 A:HIS9 2.9 30.9 1.0 C4D A:HEM201 2.9 35.1 1.0 C1D A:HEM201 3.0 35.0 1.0 C1A A:HEM201 3.0 36.7 1.0 C4B A:HEM201 3.0 33.5 1.0 CE1 A:HIS67 3.0 31.0 1.0 C4A A:HEM201 3.1 33.0 1.0 C4C A:HEM201 3.1 33.8 1.0 C1B A:HEM201 3.1 34.8 1.0 CD2 A:HIS67 3.1 29.9 1.0 C1C A:HEM201 3.1 32.4 1.0 CD2 A:HIS9 3.2 36.5 1.0 CHA A:HEM201 3.3 38.2 1.0 CHD A:HEM201 3.4 31.2 1.0 CHC A:HEM201 3.4 31.4 1.0 CHB A:HEM201 3.5 28.1 1.0 ND1 A:HIS9 4.1 27.5 1.0 ND1 A:HIS67 4.1 28.6 1.0 C2A A:HEM201 4.2 41.2 1.0 CG A:HIS9 4.2 30.2 1.0 CG A:HIS67 4.2 28.9 1.0 C3D A:HEM201 4.2 44.1 1.0 C3A A:HEM201 4.2 39.3 1.0 C2D A:HEM201 4.2 41.4 1.0 C3B A:HEM201 4.3 36.4 1.0 C3C A:HEM201 4.3 37.1 1.0 C2B A:HEM201 4.3 34.7 1.0 C2C A:HEM201 4.3 37.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the De Novo Designed Two-Heme Binding Protein, 4D2


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 the De Novo Designed Two-Heme Binding Protein, 4D2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:30.2 occ:1.00 FE A:HEM202 0.0 30.2 1.0 ND A:HEM202 1.9 35.2 1.0 NA A:HEM202 2.0 30.2 1.0 NE2 A:HIS37 2.1 28.3 1.0 NE2 A:HIS95 2.1 30.3 1.0 NB A:HEM202 2.1 30.9 1.0 NC A:HEM202 2.1 33.0 1.0 C1D A:HEM202 2.9 36.8 1.0 C4D A:HEM202 3.0 32.9 1.0 C4B A:HEM202 3.0 32.1 1.0 CE1 A:HIS95 3.0 30.8 1.0 C4C A:HEM202 3.0 32.4 1.0 CD2 A:HIS37 3.0 27.2 1.0 C4A A:HEM202 3.0 28.8 1.0 C1B A:HEM202 3.1 29.7 1.0 C1A A:HEM202 3.1 30.4 1.0 C1C A:HEM202 3.1 34.0 1.0 CE1 A:HIS37 3.1 31.4 1.0 CD2 A:HIS95 3.1 36.8 1.0 CHD A:HEM202 3.3 33.4 1.0 CHC A:HEM202 3.4 32.1 1.0 CHB A:HEM202 3.4 28.1 1.0 CHA A:HEM202 3.5 30.2 1.0 ND1 A:HIS95 4.1 27.9 1.0 C2D A:HEM202 4.2 38.9 1.0 CG A:HIS37 4.2 27.1 1.0 ND1 A:HIS37 4.2 26.8 1.0 C3D A:HEM202 4.2 39.1 1.0 CG A:HIS95 4.2 28.7 1.0 C3B A:HEM202 4.2 35.5 1.0 C3A A:HEM202 4.2 31.4 1.0 C2A A:HEM202 4.3 33.3 1.0 C3C A:HEM202 4.3 36.7 1.0 C2B A:HEM202 4.3 31.3 1.0 C2C A:HEM202 4.3 35.2 1.0 CE A:MET23 5.0 44.4 1.0 CE A:MET81 5.0 39.3 1.0

G.H.Hutchins, A.E.Parnell, J.L.R.Anderson. Crystal Structure of the De Novo Designed Two-Heme Binding Protein, 4D2 To Be Published.