Iron in PDB 4h8p: NEAT5 Domain of ISDX2, A B. Anthracis Hemophore in Complex with Heme

The structure of NEAT5 Domain of ISDX2, A B. Anthracis Hemophore in Complex with Heme, PDB code: 4h8p 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)	34.48 / 2.05
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	109.020, 109.020, 109.020, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.3

The structure of NEAT5 Domain of ISDX2, A B. Anthracis Hemophore in Complex with Heme also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the NEAT5 Domain of ISDX2, A B. Anthracis Hemophore in Complex with Heme (pdb code 4h8p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the NEAT5 Domain of ISDX2, A B. Anthracis Hemophore in Complex with Heme, PDB code: 4h8p:

Iron binding site 1 out of 1 in the NEAT5 Domain of ISDX2, A B. Anthracis Hemophore in Complex with Heme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of NEAT5 Domain of ISDX2, A B. Anthracis Hemophore in Complex with Heme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.4 occ:0.93 FE A:HEM201 0.0 19.4 0.9 OH A:TYR108 2.0 16.8 1.0 NB A:HEM201 2.0 19.7 0.9 NA A:HEM201 2.1 17.6 0.9 ND A:HEM201 2.1 16.9 0.9 NC A:HEM201 2.1 18.0 0.9 CZ A:TYR108 3.0 21.1 1.0 C1A A:HEM201 3.0 18.9 0.9 C4B A:HEM201 3.1 22.5 0.9 C4D A:HEM201 3.1 19.5 0.9 C4A A:HEM201 3.1 23.4 0.9 C1D A:HEM201 3.1 21.3 0.9 C1B A:HEM201 3.1 23.3 0.9 C1C A:HEM201 3.1 19.4 0.9 C4C A:HEM201 3.1 18.9 0.9 CHA A:HEM201 3.4 20.2 0.9 CHC A:HEM201 3.4 19.6 0.9 CHD A:HEM201 3.5 18.1 0.9 CHB A:HEM201 3.5 18.6 0.9 SD A:MET26 3.8 31.9 0.4 CE1 A:TYR108 3.8 19.9 1.0 CG A:MET26 3.9 22.8 0.4 CE2 A:TYR108 3.9 19.0 1.0 OH A:TYR112 3.9 17.8 1.0 CB A:MET26 4.1 20.9 0.6 CB A:MET26 4.2 21.0 0.4 C2A A:HEM201 4.3 23.7 0.9 C3B A:HEM201 4.3 22.4 0.9 C3A A:HEM201 4.3 21.6 0.9 C2B A:HEM201 4.3 23.9 0.9 C3D A:HEM201 4.3 19.0 0.9 CG A:MET26 4.3 24.5 0.6 C2D A:HEM201 4.3 18.2 0.9 C2C A:HEM201 4.4 19.6 0.9 C3C A:HEM201 4.4 20.3 0.9 CE2 A:TYR112 4.4 20.3 1.0 CZ A:TYR112 4.5 21.4 1.0 CE A:MET26 4.9 27.2 0.6

E.S.Honsa, C.P.Owens, C.W.Goulding, A.W.Maresso. The Near-Iron Transporter (Neat) Domains of the Anthrax Hemophore ISDX2 Require A Critical Glutamine to Extract Heme From Methemoglobin. J.Biol.Chem. V. 288 8479 2013.
ISSN: ISSN 0021-9258
PubMed: 23364793
DOI: 10.1074/JBC.M112.430009