Iron in PDB 6eha: Heme Oxygenase 1 in Complex with Inhibitor

All present enzymatic activity of Heme Oxygenase 1 in Complex with Inhibitor:
1.14.14.18;

The structure of Heme Oxygenase 1 in Complex with Inhibitor, PDB code: 6eha was solved by P.Grudnik, M.Mieczkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.85 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.411, 54.566, 72.540, 90.00, 99.54, 90.00
R / Rfree (%)	18.9 / 23.9

The binding sites of Iron atom in the Heme Oxygenase 1 in Complex with Inhibitor (pdb code 6eha). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Heme Oxygenase 1 in Complex with Inhibitor, PDB code: 6eha:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Heme Oxygenase 1 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Heme Oxygenase 1 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:20.8 occ:1.00 FE A:HEM301 0.0 20.8 1.0 ND A:HEM301 1.9 23.9 1.0 C15 A:B5B302 2.0 28.9 1.0 NA A:HEM301 2.0 20.5 1.0 NC A:HEM301 2.1 22.4 1.0 NB A:HEM301 2.1 18.3 1.0 CE1 A:HIS25 2.2 23.9 1.0 N16 A:B5B302 2.8 31.1 1.0 C1D A:HEM301 2.9 25.7 1.0 C4D A:HEM301 2.9 25.1 1.0 C1A A:HEM301 2.9 22.3 1.0 C14 A:B5B302 2.9 28.8 1.0 C4C A:HEM301 3.0 23.9 1.0 C4A A:HEM301 3.0 18.3 1.0 C4B A:HEM301 3.0 20.7 1.0 C1B A:HEM301 3.1 18.7 1.0 NE2 A:HIS25 3.1 24.5 1.0 C1C A:HEM301 3.1 21.6 1.0 ND1 A:HIS25 3.3 24.5 1.0 CHD A:HEM301 3.3 24.9 1.0 CHA A:HEM301 3.3 23.6 1.0 CHB A:HEM301 3.4 17.7 1.0 CHC A:HEM301 3.5 19.7 1.0 C17 A:B5B302 3.8 33.4 1.0 N13 A:B5B302 3.9 30.9 1.0 C2D A:HEM301 4.1 26.7 1.0 C2A A:HEM301 4.1 27.0 1.0 C3D A:HEM301 4.1 29.3 1.0 C3A A:HEM301 4.2 20.0 1.0 C3C A:HEM301 4.2 27.1 1.0 C2C A:HEM301 4.3 23.6 1.0 CD2 A:HIS25 4.3 24.5 1.0 C3B A:HEM301 4.3 21.9 1.0 C2B A:HEM301 4.3 17.6 1.0 CG A:HIS25 4.4 23.4 1.0 CA A:GLY139 4.9 24.0 1.0

Iron binding site 2 out of 2 in the Heme Oxygenase 1 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Heme Oxygenase 1 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:24.7 occ:1.00 FE B:HEM301 0.0 24.7 1.0 ND B:HEM301 2.0 26.1 1.0 NA B:HEM301 2.0 21.6 1.0 NC B:HEM301 2.0 22.5 1.0 N16 B:B5B302 2.1 32.3 1.0 NB B:HEM301 2.1 18.8 1.0 CE1 B:HIS25 2.4 26.2 1.0 C15 B:B5B302 2.6 36.1 1.0 C1D B:HEM301 3.0 26.9 1.0 C4C B:HEM301 3.0 25.5 1.0 C4D B:HEM301 3.0 26.3 1.0 C4B B:HEM301 3.0 19.5 1.0 C1A B:HEM301 3.0 23.8 1.0 C1C B:HEM301 3.1 24.5 1.0 C4A B:HEM301 3.1 20.1 1.0 C1B B:HEM301 3.1 18.7 1.0 C17 B:B5B302 3.1 32.8 1.0 ND1 B:HIS25 3.3 26.7 1.0 NE2 B:HIS25 3.4 27.9 1.0 CHD B:HEM301 3.4 27.0 1.0 CHC B:HEM301 3.4 20.3 1.0 CHA B:HEM301 3.4 25.2 1.0 CHB B:HEM301 3.4 19.3 1.0 C14 B:B5B302 3.8 36.7 1.0 N13 B:B5B302 4.0 35.6 1.0 C3C B:HEM301 4.2 29.5 1.0 C2C B:HEM301 4.3 28.4 1.0 C2D B:HEM301 4.3 29.5 1.0 C3A B:HEM301 4.3 19.3 1.0 C3D B:HEM301 4.3 30.6 1.0 C2A B:HEM301 4.3 22.6 1.0 C2B B:HEM301 4.3 17.2 1.0 C3B B:HEM301 4.3 19.7 1.0 CG B:HIS25 4.5 26.5 1.0 CD2 B:HIS25 4.5 26.4 1.0 CA B:GLY139 5.0 18.7 1.0

O.Mucha, P.Podkalicka, M.Mikulski, S.Barwacz, K.Andrysiak, A.Biela, M.Mieczkowski, N.Kachamakova-Trojanowska, D.Ryszawy, A.Bialas, B.Szelazek, P.Grudnik, E.Majewska, K.Michalik, K.Jakubiec, M.Bien, N.Witkowska, K.Gluza, D.Ekonomiuk, K.Sitarz, M.Galezowski, K.Brzozka, G.Dubin, A.Jozkowicz, J.Dulak, A.Loboda. Development and Characterization of A New Inhibitor of Heme Oxygenase Activity For Cancer Treatment. Arch.Biochem.Biophys. V. 671 130 2019.
ISSN: ESSN 1096-0384
PubMed: 31276659
DOI: 10.1016/J.ABB.2019.07.002