Iron in PDB 4fnh: Crystal Structure of Isdi-W66Y in Complex with Heme

All present enzymatic activity of Crystal Structure of Isdi-W66Y in Complex with Heme:
1.14.99.3;

The structure of Crystal Structure of Isdi-W66Y in Complex with Heme, PDB code: 4fnh was solved by G.N.Ukpabi, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.33 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.490, 68.800, 73.170, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23

The binding sites of Iron atom in the Crystal Structure of Isdi-W66Y in Complex with Heme (pdb code 4fnh). 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 Isdi-W66Y in Complex with Heme, PDB code: 4fnh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Isdi-W66Y 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 Crystal Structure of Isdi-W66Y in Complex with Heme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:10.1 occ:1.00 FE A:HEM200 0.0 10.1 1.0 NA A:HEM200 2.0 10.8 1.0 NC A:HEM200 2.0 10.6 1.0 ND A:HEM200 2.0 11.1 1.0 NB A:HEM200 2.0 10.6 1.0 NE2 A:HIS76 2.2 12.4 1.0 C4C A:HEM200 3.0 11.1 1.0 C4A A:HEM200 3.0 10.8 1.0 C1A A:HEM200 3.0 11.0 1.0 C1D A:HEM200 3.0 11.1 1.0 C1B A:HEM200 3.0 10.8 1.0 C4D A:HEM200 3.0 11.2 1.0 C1C A:HEM200 3.1 11.1 1.0 C4B A:HEM200 3.1 10.6 1.0 CD2 A:HIS76 3.1 12.7 1.0 CE1 A:HIS76 3.3 12.2 1.0 CHD A:HEM200 3.4 11.2 1.0 CD1 A:ILE53 3.4 8.8 1.0 CHA A:HEM200 3.4 11.3 1.0 CHB A:HEM200 3.4 10.9 1.0 CHC A:HEM200 3.4 10.8 1.0 C3A A:HEM200 4.2 10.9 1.0 C2A A:HEM200 4.2 11.0 1.0 C3C A:HEM200 4.2 11.5 1.0 C2C A:HEM200 4.3 11.3 1.0 C3D A:HEM200 4.3 11.6 1.0 C2B A:HEM200 4.3 10.7 1.0 C2D A:HEM200 4.3 11.3 1.0 C3B A:HEM200 4.3 10.8 1.0 CG A:HIS76 4.3 13.1 1.0 ND1 A:HIS76 4.4 12.6 1.0 CE1 A:PHE22 4.7 10.9 1.0 CG1 A:ILE53 4.8 8.7 1.0 CZ A:PHE22 4.9 10.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Isdi-W66Y in Complex 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 Isdi-W66Y in Complex with Heme within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:10.0 occ:1.00 FE B:HEM200 0.0 10.0 1.0 NA B:HEM200 2.0 9.8 1.0 NC B:HEM200 2.0 9.9 1.0 NB B:HEM200 2.1 9.9 1.0 ND B:HEM200 2.1 10.2 1.0 NE2 B:HIS76 2.2 12.0 1.0 C1A B:HEM200 3.0 9.8 1.0 C4A B:HEM200 3.0 9.9 1.0 C4C B:HEM200 3.0 10.2 1.0 C1C B:HEM200 3.1 10.2 1.0 C1D B:HEM200 3.1 10.2 1.0 C1B B:HEM200 3.1 10.0 1.0 C4D B:HEM200 3.1 10.4 1.0 C4B B:HEM200 3.1 9.9 1.0 CD2 B:HIS76 3.2 11.5 1.0 CE1 B:HIS76 3.2 11.5 1.0 CHA B:HEM200 3.4 10.1 1.0 CHD B:HEM200 3.4 10.1 1.0 CHB B:HEM200 3.4 9.7 1.0 CHC B:HEM200 3.4 9.8 1.0 CD1 B:ILE53 3.5 7.8 1.0 C2A B:HEM200 4.2 9.4 1.0 C3A B:HEM200 4.2 9.7 1.0 C3C B:HEM200 4.3 10.4 1.0 C2C B:HEM200 4.3 9.9 1.0 C2B B:HEM200 4.3 9.9 1.0 C3D B:HEM200 4.3 11.0 1.0 C3B B:HEM200 4.3 9.9 1.0 C2D B:HEM200 4.3 10.5 1.0 ND1 B:HIS76 4.4 11.8 1.0 CG B:HIS76 4.4 12.0 1.0 CE1 B:PHE22 4.7 10.4 1.0 CG1 B:ILE53 4.9 7.7 1.0 CZ B:PHE22 4.9 10.4 1.0 CE1 B:PHE72 5.0 11.9 1.0

G.Ukpabi, S.J.Takayama, A.G.Mauk, M.E.Murphy. Inactivation of the Heme Degrading Enzyme Isdi By An Active Site Substitution That Diminishes Heme Ruffling. J.Biol.Chem. V. 287 34179 2012.
ISSN: ISSN 0021-9258
PubMed: 22891243
DOI: 10.1074/JBC.M112.393249