Iron in PDB 3lah: Structural Insights Into the Molecular Mechanism of H-Nox Activation

The structure of Structural Insights Into the Molecular Mechanism of H-Nox Activation, PDB code: 3lah was solved by C.Olea Jr, M.A.Herzik Jr, J.Kuriyan, M.A.Marletta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.60 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.353, 88.713, 89.207, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 25.1

The binding sites of Iron atom in the Structural Insights Into the Molecular Mechanism of H-Nox Activation (pdb code 3lah). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structural Insights Into the Molecular Mechanism of H-Nox Activation, PDB code: 3lah:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structural Insights Into the Molecular Mechanism of H-Nox Activation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structural Insights Into the Molecular Mechanism of H-Nox Activation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:28.3 occ:1.00 FE A:HEM200 0.0 28.3 1.0 NB A:HEM200 2.0 32.4 1.0 NA A:HEM200 2.0 31.2 1.0 NC A:HEM200 2.0 30.5 1.0 N1 A:IMD501 2.1 30.6 1.0 ND A:HEM200 2.1 30.3 1.0 N1 A:IMD502 2.1 30.1 1.0 C2 A:IMD501 2.7 30.7 1.0 C2 A:IMD502 3.0 30.9 1.0 C4A A:HEM200 3.0 32.4 1.0 C1D A:HEM200 3.0 26.4 1.0 C4C A:HEM200 3.0 27.6 1.0 C1B A:HEM200 3.0 33.7 1.0 C4B A:HEM200 3.0 30.4 1.0 C1C A:HEM200 3.1 29.9 1.0 C1A A:HEM200 3.1 31.3 1.0 C4D A:HEM200 3.1 28.2 1.0 C5 A:IMD502 3.2 28.6 1.0 C5 A:IMD501 3.3 34.4 1.0 CHD A:HEM200 3.4 28.0 1.0 CHB A:HEM200 3.4 29.2 1.0 CHC A:HEM200 3.4 28.2 1.0 CHA A:HEM200 3.5 29.0 1.0 N3 A:IMD501 4.0 31.8 1.0 N3 A:IMD502 4.2 28.9 1.0 C3A A:HEM200 4.2 32.1 1.0 C4 A:IMD501 4.2 36.2 1.0 C2D A:HEM200 4.2 26.3 1.0 C3C A:HEM200 4.3 26.2 1.0 C2B A:HEM200 4.3 33.1 1.0 C3B A:HEM200 4.3 33.1 1.0 C2A A:HEM200 4.3 31.8 1.0 C2C A:HEM200 4.3 29.8 1.0 C3D A:HEM200 4.3 26.7 1.0 C4 A:IMD502 4.3 31.3 1.0

Iron binding site 2 out of 2 in the Structural Insights Into the Molecular Mechanism of H-Nox Activation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structural Insights Into the Molecular Mechanism of H-Nox Activation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:30.4 occ:1.00 FE B:HEM200 0.0 30.4 1.0 NC B:HEM200 2.0 33.3 1.0 NA B:HEM200 2.0 32.2 1.0 NB B:HEM200 2.1 32.7 1.0 N1 B:IMD501 2.1 29.0 1.0 N1 B:IMD502 2.1 29.9 1.0 ND B:HEM200 2.1 29.6 1.0 C2 B:IMD501 2.8 29.5 1.0 C2 B:IMD502 3.0 32.3 1.0 C4C B:HEM200 3.0 29.9 1.0 C1C B:HEM200 3.0 32.1 1.0 C1D B:HEM200 3.0 30.7 1.0 C4A B:HEM200 3.1 34.2 1.0 C4B B:HEM200 3.1 32.4 1.0 C1A B:HEM200 3.1 32.5 1.0 C1B B:HEM200 3.1 33.0 1.0 C4D B:HEM200 3.1 31.0 1.0 C5 B:IMD502 3.2 29.4 1.0 C5 B:IMD501 3.2 33.3 1.0 CHD B:HEM200 3.3 30.7 1.0 CHC B:HEM200 3.4 31.4 1.0 CHB B:HEM200 3.4 33.3 1.0 CHA B:HEM200 3.5 31.4 1.0 N3 B:IMD501 4.1 28.6 1.0 N3 B:IMD502 4.2 36.9 1.0 C3C B:HEM200 4.2 26.4 1.0 C2C B:HEM200 4.2 30.8 1.0 C2D B:HEM200 4.3 27.5 1.0 C4 B:IMD501 4.3 32.4 1.0 C4 B:IMD502 4.3 29.7 1.0 C2A B:HEM200 4.3 36.5 1.0 C3A B:HEM200 4.3 35.1 1.0 C3D B:HEM200 4.3 31.9 1.0 C3B B:HEM200 4.3 30.4 1.0 C2B B:HEM200 4.3 32.9 1.0

C.Olea, M.A.Herzik, J.Kuriyan, M.A.Marletta. Structural Insights Into the Molecular Mechanism of H-Nox Activation. Protein Sci. V. 19 881 2010.
ISSN: ISSN 0961-8368
PubMed: 20162612
DOI: 10.1002/PRO.357