Iron in PDB 3sik: Crystal Structure of the Bacillus Anthracis Hemophore ISDX1 Complexed with Heme

The structure of Crystal Structure of the Bacillus Anthracis Hemophore ISDX1 Complexed with Heme, PDB code: 3sik was solved by C.P.Owens, C.W.Goulding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.49 / 2.15
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	64.978, 64.978, 74.211, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.4

The binding sites of Iron atom in the Crystal Structure of the Bacillus Anthracis Hemophore ISDX1 Complexed with Heme (pdb code 3sik). 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 Bacillus Anthracis Hemophore ISDX1 Complexed with Heme, PDB code: 3sik:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Bacillus Anthracis Hemophore ISDX1 Complexed with Heme


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 Bacillus Anthracis Hemophore ISDX1 Complexed with Heme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:42.8 occ:1.00 FE A:HEM154 0.0 42.8 1.0 NC A:HEM154 2.0 44.3 1.0 NB A:HEM154 2.1 39.7 1.0 NA A:HEM154 2.1 40.7 1.0 ND A:HEM154 2.1 46.5 1.0 OH A:TYR136 2.3 38.0 1.0 C1C A:HEM154 3.0 44.6 1.0 C4C A:HEM154 3.0 40.4 1.0 C4B A:HEM154 3.0 40.5 1.0 C1A A:HEM154 3.1 42.4 1.0 C1B A:HEM154 3.1 38.6 1.0 C4D A:HEM154 3.1 44.6 1.0 C1D A:HEM154 3.1 45.2 1.0 C4A A:HEM154 3.1 38.5 1.0 CZ A:TYR136 3.3 41.2 1.0 CHC A:HEM154 3.4 41.8 1.0 CHA A:HEM154 3.4 43.0 1.0 CHD A:HEM154 3.5 43.5 1.0 CHB A:HEM154 3.5 37.5 1.0 OH A:TYR140 3.7 42.3 1.0 CE1 A:TYR136 3.9 37.2 1.0 CE2 A:TYR136 4.1 40.5 1.0 C2C A:HEM154 4.2 42.8 1.0 C3C A:HEM154 4.2 38.7 1.0 C3B A:HEM154 4.3 38.6 1.0 C2B A:HEM154 4.3 37.9 1.0 C2A A:HEM154 4.3 45.3 1.0 CZ A:TYR140 4.3 39.9 1.0 CE2 A:TYR140 4.3 38.4 1.0 C3A A:HEM154 4.3 40.6 1.0 C3D A:HEM154 4.4 41.1 1.0 C2D A:HEM154 4.4 44.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Bacillus Anthracis Hemophore ISDX1 Complexed with Heme


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 Bacillus Anthracis Hemophore ISDX1 Complexed with Heme within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe154 b:43.7 occ:1.00 FE B:HEM154 0.0 43.7 1.0 NA B:HEM154 2.0 43.1 1.0 NB B:HEM154 2.0 40.1 1.0 NC B:HEM154 2.1 40.5 1.0 ND B:HEM154 2.1 42.6 1.0 OH B:TYR136 2.3 41.2 1.0 C1A B:HEM154 3.0 44.3 1.0 C4B B:HEM154 3.1 42.7 1.0 C4A B:HEM154 3.1 42.6 1.0 C4D B:HEM154 3.1 41.9 1.0 C1C B:HEM154 3.1 39.7 1.0 C1B B:HEM154 3.1 40.8 1.0 C4C B:HEM154 3.1 38.0 1.0 C1D B:HEM154 3.1 40.5 1.0 CZ B:TYR136 3.4 42.9 1.0 CHA B:HEM154 3.4 43.1 1.0 CHC B:HEM154 3.4 43.4 1.0 CHB B:HEM154 3.5 43.0 1.0 CHD B:HEM154 3.5 39.0 1.0 OH B:TYR140 3.8 45.4 1.0 CE2 B:TYR136 4.1 45.0 1.0 C2A B:HEM154 4.2 42.0 1.0 C3A B:HEM154 4.2 44.1 1.0 CE1 B:TYR136 4.2 44.7 1.0 C3B B:HEM154 4.3 42.6 1.0 C2B B:HEM154 4.3 41.0 1.0 C2C B:HEM154 4.3 39.6 1.0 C3C B:HEM154 4.3 39.8 1.0 C3D B:HEM154 4.3 43.9 1.0 CZ B:TYR140 4.4 41.4 1.0 C2D B:HEM154 4.4 40.0 1.0 CE2 B:TYR140 4.4 39.8 1.0

M.T.Ekworomadu, C.B.Poor, C.P.Owens, M.A.Balderas, M.Fabian, J.S.Olson, F.Murphy, E.Balkabasi, E.S.Honsa, C.He, C.W.Goulding, A.W.Maresso. Differential Function of Lip Residues in the Mechanism and Biology of An Anthrax Hemophore. Plos Pathog. V. 8 02559 2012.
ISSN: ISSN 1553-7366
PubMed: 22412371
DOI: 10.1371/JOURNAL.PPAT.1002559