Iron in PDB 1dkh: Crystal Structure of the Hemophore Hasa, pH 6.5

The structure of Crystal Structure of the Hemophore Hasa, pH 6.5, PDB code: 1dkh was solved by P.Arnoux, R.Haser, N.Izadi-Pruneyre, A.Lecroisey, M.Czjzek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 3.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.650, 111.650, 52.790, 90.00, 90.00, 120.00
R / Rfree (%)	22.8 / 28.8

The structure of Crystal Structure of the Hemophore Hasa, pH 6.5 also contains other interesting chemical elements:

Samarium	(Sm)	1 atom
Zinc	(Zn)	3 atoms

The binding sites of Iron atom in the Crystal Structure of the Hemophore Hasa, pH 6.5 (pdb code 1dkh). 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 Crystal Structure of the Hemophore Hasa, pH 6.5, PDB code: 1dkh:

Iron binding site 1 out of 1 in the Crystal Structure of the Hemophore Hasa, pH 6.5


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 Hemophore Hasa, pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:72.6 occ:1.00 FE A:HEM200 0.0 72.6 1.0 NA A:HEM200 1.9 72.9 1.0 NC A:HEM200 1.9 72.8 1.0 NB A:HEM200 1.9 72.4 1.0 ND A:HEM200 1.9 72.4 1.0 OH A:TYR75 2.6 61.0 1.0 NE2 A:HIS32 2.7 61.7 1.0 C1A A:HEM200 2.9 73.1 1.0 C4A A:HEM200 2.9 72.9 1.0 C4D A:HEM200 3.0 72.4 1.0 C4B A:HEM200 3.0 72.4 1.0 C1C A:HEM200 3.0 72.7 1.0 C4C A:HEM200 3.0 72.9 1.0 C1D A:HEM200 3.0 72.4 1.0 C1B A:HEM200 3.0 72.4 1.0 CHA A:HEM200 3.3 72.9 1.0 CHC A:HEM200 3.3 72.6 1.0 CHB A:HEM200 3.4 72.6 1.0 CHD A:HEM200 3.4 72.7 1.0 CD2 A:HIS32 3.4 62.0 1.0 CZ A:TYR75 3.8 61.5 1.0 CE1 A:HIS32 3.9 62.2 1.0 CB A:HIS83 4.0 70.3 1.0 C3A A:HEM200 4.2 73.0 1.0 C2A A:HEM200 4.2 73.3 1.0 ND1 A:HIS83 4.2 70.8 1.0 C3B A:HEM200 4.2 72.4 1.0 C2D A:HEM200 4.2 72.2 1.0 C3D A:HEM200 4.2 72.1 1.0 C2C A:HEM200 4.2 72.9 1.0 C3C A:HEM200 4.2 73.0 1.0 C2B A:HEM200 4.3 72.2 1.0 CE2 A:TYR75 4.3 61.6 1.0 CG A:HIS83 4.5 70.5 1.0 CG A:HIS32 4.7 62.1 1.0 CE1 A:TYR75 4.8 61.8 1.0 ND1 A:HIS32 4.9 62.1 1.0 CA A:HIS83 5.0 70.3 1.0

P.Arnoux, R.Haser, N.Izadi-Pruneyre, A.Lecroisey, M.Czjzek. Functional Aspects of the Heme Bound Hemophore Hasa By Structural Analysis of Various Crystal Forms. Proteins V. 41 202 2000.
ISSN: ISSN 0887-3585
PubMed: 10966573
DOI: 10.1002/1097-0134(20001101)41:2<202::AID-PROT50>3.0.CO;2-8