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

Enzymatic activity of Heme Oxygenase 1 in Complex with Inhibitor

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

Protein crystallography data

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

Iron Binding Sites:

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 6eha

Go back to Iron Binding Sites List in 6eha
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 6eha

Go back to Iron Binding Sites List in 6eha
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

Reference:

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
Page generated: Tue Aug 6 17:23:13 2024

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