Iron in PDB 4h8q: Structure of the Q29T ISDX2-NEAT5 Mutant in Complex with Heme

The structure of Structure of the Q29T ISDX2-NEAT5 Mutant in Complex with Heme, PDB code: 4h8q 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)	38.57 / 1.70
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	109.090, 109.090, 109.090, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 20.8

The structure of Structure of the Q29T ISDX2-NEAT5 Mutant in Complex with Heme also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Structure of the Q29T ISDX2-NEAT5 Mutant in Complex with Heme (pdb code 4h8q). 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 Structure of the Q29T ISDX2-NEAT5 Mutant in Complex with Heme, PDB code: 4h8q:

Iron binding site 1 out of 1 in the Structure of the Q29T ISDX2-NEAT5 Mutant 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 Structure of the Q29T ISDX2-NEAT5 Mutant in Complex with Heme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:20.5 occ:1.00 FE A:HEM201 0.0 20.5 1.0 ND A:HEM201 2.0 18.4 1.0 NA A:HEM201 2.0 17.3 1.0 NB A:HEM201 2.1 18.6 1.0 OH A:TYR108 2.1 20.6 1.0 NC A:HEM201 2.1 17.1 1.0 SD A:MET26 2.9 25.4 0.3 C1D A:HEM201 3.1 18.9 1.0 C4A A:HEM201 3.1 22.4 1.0 C4D A:HEM201 3.1 19.4 1.0 CZ A:TYR108 3.1 19.3 1.0 C1B A:HEM201 3.1 21.9 1.0 C1A A:HEM201 3.1 21.0 1.0 C4B A:HEM201 3.1 21.9 1.0 C1C A:HEM201 3.1 21.1 1.0 C4C A:HEM201 3.1 19.3 1.0 CHB A:HEM201 3.4 22.8 1.0 CHD A:HEM201 3.4 20.8 1.0 CHA A:HEM201 3.5 23.2 1.0 CHC A:HEM201 3.5 22.1 1.0 CG A:MET26 3.7 23.0 0.3 CE1 A:TYR108 3.8 19.7 1.0 CE2 A:TYR108 3.9 21.7 1.0 CB A:MET26 3.9 22.2 0.0 OH A:TYR112 4.1 20.0 1.0 CB A:MET26 4.1 22.2 0.7 CE A:MET26 4.2 24.9 0.3 CE A:MET26 4.2 25.3 0.0 CB A:MET26 4.2 22.3 0.3 C3A A:HEM201 4.3 20.3 1.0 C2D A:HEM201 4.3 19.1 1.0 CE A:MET26 4.3 25.5 0.7 C2B A:HEM201 4.3 21.1 1.0 C3D A:HEM201 4.3 19.9 1.0 C2A A:HEM201 4.3 20.3 1.0 C3B A:HEM201 4.3 21.0 1.0 C2C A:HEM201 4.3 19.0 1.0 C3C A:HEM201 4.3 18.4 1.0 CG A:MET26 4.3 23.8 0.0 CG A:MET26 4.4 24.0 0.7 CE2 A:TYR112 4.5 18.3 1.0 CZ A:TYR112 4.6 20.0 1.0

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