Iron in PDB 7oon: The X-Ray Structure of Heme-Bound Murine HEBP1

The structure of The X-Ray Structure of Heme-Bound Murine HEBP1, PDB code: 7oon was solved by A.G.Mcewen, P.Poussin-Courmontagne, C.Birck, B.J.Goodfellow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.94 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.493, 79.492, 85.074, 90, 102.01, 90
R / Rfree (%)	21 / 23.2

The binding sites of Iron atom in the The X-Ray Structure of Heme-Bound Murine HEBP1 (pdb code 7oon). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The X-Ray Structure of Heme-Bound Murine HEBP1, PDB code: 7oon:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The X-Ray Structure of Heme-Bound Murine HEBP1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The X-Ray Structure of Heme-Bound Murine HEBP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:70.8 occ:1.00 FE A:HEM201 0.0 70.8 1.0 ND A:HEM201 1.9 71.5 1.0 NA A:HEM201 2.0 70.9 1.0 NC A:HEM201 2.1 65.0 1.0 NB A:HEM201 2.1 61.3 1.0 C4D A:HEM201 2.9 75.7 1.0 C1D A:HEM201 2.9 64.3 1.0 C1A A:HEM201 3.0 73.6 1.0 C4C A:HEM201 3.0 66.4 1.0 C4A A:HEM201 3.0 76.0 1.0 C1B A:HEM201 3.1 74.4 1.0 C4B A:HEM201 3.1 58.8 1.0 C1C A:HEM201 3.1 60.8 1.0 CHA A:HEM201 3.3 74.2 1.0 CG A:MET63 3.4 69.2 1.0 CHD A:HEM201 3.4 60.4 1.0 CHB A:HEM201 3.5 73.4 1.0 CHC A:HEM201 3.5 50.2 1.0 O1A B:HEM201 3.8 98.4 1.0 SD A:MET63 4.0 79.8 1.0 CE A:MET63 4.1 71.3 1.0 C3D A:HEM201 4.1 69.0 1.0 C2D A:HEM201 4.1 72.4 1.0 C2A A:HEM201 4.2 75.5 1.0 C3A A:HEM201 4.2 80.3 1.0 C3C A:HEM201 4.3 63.5 1.0 CGA B:HEM201 4.3 102.2 1.0 C2C A:HEM201 4.3 64.7 1.0 C2B A:HEM201 4.3 67.3 1.0 CB A:MET63 4.3 79.9 1.0 CBA B:HEM201 4.3 94.2 1.0 C3B A:HEM201 4.3 65.2 1.0 CD A:PRO175 4.4 68.3 1.0 CB A:PRO174 4.7 75.8 1.0

Iron binding site 2 out of 2 in the The X-Ray Structure of Heme-Bound Murine HEBP1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The X-Ray Structure of Heme-Bound Murine HEBP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:98.5 occ:1.00 FE B:HEM201 0.0 98.5 1.0 ND B:HEM201 1.9 84.5 1.0 NA B:HEM201 2.0 89.7 1.0 NC B:HEM201 2.1 90.4 1.0 NB B:HEM201 2.1 97.3 1.0 C4D B:HEM201 2.9 90.9 1.0 C1D B:HEM201 2.9 88.3 1.0 C1A B:HEM201 3.0 90.6 1.0 C4C B:HEM201 3.0 88.2 1.0 C4A B:HEM201 3.1 89.5 1.0 C1B B:HEM201 3.1 98.5 1.0 C4B B:HEM201 3.1 102.0 1.0 C1C B:HEM201 3.1 88.3 1.0 CHA B:HEM201 3.3 94.2 1.0 CHD B:HEM201 3.4 87.2 1.0 CHB B:HEM201 3.5 88.4 1.0 CHC B:HEM201 3.5 95.5 1.0 CG B:MET63 3.7 100.4 1.0 O1D A:HEM201 3.8 78.5 1.0 SD B:MET63 4.1 106.0 1.0 C3D B:HEM201 4.1 91.7 1.0 CD B:PRO175 4.1 81.2 1.0 C2D B:HEM201 4.1 89.0 1.0 C2A B:HEM201 4.2 92.9 1.0 C3A B:HEM201 4.2 87.8 1.0 C3C B:HEM201 4.3 89.9 1.0 C2C B:HEM201 4.3 90.6 1.0 C2B B:HEM201 4.3 113.0 1.0 C3B B:HEM201 4.3 111.2 1.0 CE B:MET63 4.5 102.9 1.0 CB B:PRO174 4.6 84.4 1.0 CA B:PRO174 4.8 79.6 1.0 CB B:MET63 4.9 95.5 1.0 CGD A:HEM201 4.9 86.5 1.0

B.J.Goodfellow, F.Freire, A.L.Carvalho, S.S.Aveiro, P.Charbonnier, J.M.Moulis, L.Delgado, G.C.Ferreira, J.E.Rodrigues, P.Poussin-Courmontagne, C.Birck, A.Mcewen, A.L.Macedo. The Soul Family of Heme-Binding Proteins: Structure and Function 15 Years Later Coord. Chem. Rev V. 448 14189 2021.
DOI: 10.1016/J.CCR.2021.214189