Iron in PDB 3lgn: Crystal Structure of Isdi in Complex with Heme

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

The structure of Crystal Structure of Isdi in Complex with Heme, PDB code: 3lgn 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)	44.62 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.240, 66.780, 69.430, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 21.4

The structure of Crystal Structure of Isdi in Complex with Heme also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the Crystal Structure of Isdi in Complex with Heme (pdb code 3lgn). 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 in Complex with Heme, PDB code: 3lgn:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Isdi 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 in Complex with Heme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:16.2 occ:1.00 FE A:HEM200 0.0 16.2 1.0 NA A:HEM200 2.0 17.1 1.0 NC A:HEM200 2.0 17.7 1.0 ND A:HEM200 2.0 15.2 1.0 NB A:HEM200 2.0 16.2 1.0 O1 A:OXY109 2.0 14.9 1.0 NE2 A:HIS76 2.1 17.0 1.0 O2 A:OXY109 2.7 15.0 1.0 C1A A:HEM200 3.0 17.7 1.0 C4A A:HEM200 3.0 17.6 1.0 C4C A:HEM200 3.0 16.6 1.0 C1C A:HEM200 3.0 17.6 1.0 C4B A:HEM200 3.0 17.5 1.0 C1D A:HEM200 3.0 15.1 1.0 C4D A:HEM200 3.0 15.5 1.0 C1B A:HEM200 3.0 16.9 1.0 CD2 A:HIS76 3.0 18.8 1.0 CE1 A:HIS76 3.1 18.5 1.0 CHC A:HEM200 3.3 18.2 1.0 CHA A:HEM200 3.3 16.7 1.0 CHD A:HEM200 3.3 15.4 1.0 CHB A:HEM200 3.3 17.6 1.0 ND2 A:ASN6 4.0 14.5 1.0 ND1 A:HIS76 4.2 18.7 1.0 C2A A:HEM200 4.2 19.2 1.0 C3A A:HEM200 4.2 18.3 1.0 CG A:HIS76 4.2 20.7 1.0 C3C A:HEM200 4.2 17.8 1.0 C2C A:HEM200 4.2 18.1 1.0 C3B A:HEM200 4.2 18.2 1.0 C2D A:HEM200 4.2 15.0 1.0 C2B A:HEM200 4.2 17.5 1.0 C3D A:HEM200 4.2 15.1 1.0 CE1 A:PHE22 4.6 15.9 1.0 CZ A:PHE22 4.9 16.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Isdi 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 in Complex with Heme within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:12.7 occ:1.00 FE B:HEM200 0.0 12.7 1.0 NA B:HEM200 2.0 13.4 1.0 NC B:HEM200 2.0 12.6 1.0 ND B:HEM200 2.0 12.0 1.0 NB B:HEM200 2.0 13.7 1.0 O1 B:OXY109 2.1 13.8 1.0 NE2 B:HIS76 2.1 14.4 1.0 O2 B:OXY109 2.6 14.0 1.0 C4A B:HEM200 3.0 13.6 1.0 C1A B:HEM200 3.0 13.0 1.0 C1C B:HEM200 3.0 13.5 1.0 C4C B:HEM200 3.0 12.1 1.0 C4B B:HEM200 3.0 13.6 1.0 C1D B:HEM200 3.0 11.9 1.0 C4D B:HEM200 3.0 12.0 1.0 CD2 B:HIS76 3.0 15.7 1.0 C1B B:HEM200 3.0 13.8 1.0 CE1 B:HIS76 3.1 14.6 1.0 CHC B:HEM200 3.3 14.3 1.0 CHA B:HEM200 3.3 13.0 1.0 CHD B:HEM200 3.3 12.2 1.0 CHB B:HEM200 3.4 13.1 1.0 ND2 B:ASN6 4.0 12.3 1.0 C3A B:HEM200 4.2 14.1 1.0 C2A B:HEM200 4.2 15.0 1.0 CG B:HIS76 4.2 15.9 1.0 ND1 B:HIS76 4.2 14.9 1.0 C2C B:HEM200 4.2 13.6 1.0 C3C B:HEM200 4.2 12.8 1.0 C2D B:HEM200 4.2 12.1 1.0 C3B B:HEM200 4.2 15.0 1.0 C3D B:HEM200 4.2 12.3 1.0 C2B B:HEM200 4.2 15.2 1.0 CE1 B:PHE22 4.6 12.4 1.0 CZ B:PHE22 4.8 12.5 1.0

M.L.Reniere, G.N.Ukpabi, S.R.Harry, D.F.Stec, R.Krull, D.W.Wright, B.O.Bachmann, M.E.P.Murphy, E.P.Skaar. The Isdg-Family of Haem Oxygenases Degrades Haem to A Novel Chromophore Mol.Microbiol. V. 75 1529 2010.
ISSN: ISSN 0950-382X
PubMed: 20180905
DOI: 10.1111/J.1365-2958.2010.07076.X