Iron in PDB 8vgu: Crystal Structure of Bctspo/Hematin Complex

The structure of Crystal Structure of Bctspo/Hematin Complex, PDB code: 8vgu was solved by W.Qiu, Y.Guo, W.A.Hendrickson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.16 / 2.03
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.523, 46.983, 67.853, 90, 92.28, 90
R / Rfree (%)	21.8 / 25.3

The binding sites of Iron atom in the Crystal Structure of Bctspo/Hematin Complex (pdb code 8vgu). 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 Bctspo/Hematin Complex, PDB code: 8vgu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Bctspo/Hematin Complex


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 Bctspo/Hematin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:26.2 occ:1.00 FE A:MH0201 0.0 26.2 1.0 NC A:MH0201 2.0 33.6 1.0 NB A:MH0201 2.1 26.4 1.0 O1 A:OXY205 2.1 40.8 1.0 ND A:MH0201 2.1 35.1 1.0 NA A:MH0201 2.1 35.0 1.0 O A:HOH313 2.7 35.9 1.0 C4C A:MH0201 3.0 27.4 1.0 O2 A:OXY205 3.0 26.5 1.0 C1D A:MH0201 3.1 34.7 1.0 C1C A:MH0201 3.1 30.3 1.0 C1B A:MH0201 3.1 22.3 1.0 C4B A:MH0201 3.1 29.2 1.0 C4D A:MH0201 3.1 37.5 1.0 C1A A:MH0201 3.1 35.3 1.0 C4A A:MH0201 3.1 29.1 1.0 CHD A:MH0201 3.4 26.0 1.0 CHC A:MH0201 3.4 29.8 1.0 CHB A:MH0201 3.5 28.1 1.0 CHA A:MH0201 3.5 40.5 1.0 CG2 A:ILE47 3.9 33.5 1.0 NE1 A:TRP51 4.0 22.8 1.0 CE2 A:PHE90 4.2 30.8 1.0 C3C A:MH0201 4.3 31.5 1.0 C2C A:MH0201 4.3 29.0 1.0 C2B A:MH0201 4.3 24.1 1.0 C3B A:MH0201 4.3 23.6 1.0 C2D A:MH0201 4.3 40.2 1.0 C3D A:MH0201 4.3 33.6 1.0 C2A A:MH0201 4.3 29.1 1.0 C3A A:MH0201 4.3 26.8 1.0 CD1 A:TRP51 4.5 23.4 1.0 CD2 A:PHE90 4.7 23.7 1.0 CE2 A:TRP51 5.0 25.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Bctspo/Hematin Complex


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 Bctspo/Hematin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:35.2 occ:1.00 FE B:MH0201 0.0 35.2 1.0 ND B:MH0201 2.0 45.5 1.0 NC B:MH0201 2.0 40.9 1.0 O2 B:OXY207 2.1 40.9 1.0 NA B:MH0201 2.1 47.0 1.0 NB B:MH0201 2.1 38.9 1.0 O B:HOH316 2.7 32.9 1.0 C4D B:MH0201 3.0 41.4 1.0 C1D B:MH0201 3.0 39.6 1.0 C1A B:MH0201 3.0 41.4 1.0 C1C B:MH0201 3.0 40.0 1.0 C4C B:MH0201 3.1 37.0 1.0 C4A B:MH0201 3.1 39.0 1.0 C4B B:MH0201 3.1 42.4 1.0 C1B B:MH0201 3.1 37.2 1.0 O1 B:OXY207 3.2 44.9 1.0 CHA B:MH0201 3.4 42.7 1.0 CHD B:MH0201 3.4 36.8 1.0 CHC B:MH0201 3.4 43.7 1.0 CHB B:MH0201 3.5 38.3 1.0 CG2 B:ILE47 3.9 44.6 1.0 NE1 B:TRP51 4.0 34.7 1.0 CE2 B:PHE90 4.2 41.0 1.0 C2A B:MH0201 4.2 42.1 1.0 C3A B:MH0201 4.2 40.4 1.0 C3D B:MH0201 4.2 39.9 1.0 C2D B:MH0201 4.2 40.8 1.0 C2C B:MH0201 4.3 36.5 1.0 C3C B:MH0201 4.3 38.6 1.0 C3B B:MH0201 4.3 31.9 1.0 C2B B:MH0201 4.4 39.6 1.0 CD1 B:TRP51 4.5 33.0 1.0 CD2 B:PHE90 4.6 41.0 1.0 CE2 B:TRP51 5.0 36.9 1.0

W.Qiu, Y.Guo, W.A.Hendrickson. Crystal Structure of Bctspo Complexed with Hematin PNAS.