Iron in PDB 3lai: 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: 3lai 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)	46.34 / 2.14
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.354, 86.502, 122.749, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 24.9

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

Iron binding site 1 out of 3 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:27.8 occ:1.00 FE A:HEM200 0.0 27.8 1.0 N1 A:IMD501 1.9 28.0 1.0 NC A:HEM200 1.9 24.3 1.0 N1 A:IMD502 2.0 25.8 1.0 NA A:HEM200 2.0 25.9 1.0 ND A:HEM200 2.0 23.4 1.0 NB A:HEM200 2.1 30.6 1.0 C2 A:IMD502 2.8 29.9 1.0 C2 A:IMD501 2.9 29.4 1.0 C5 A:IMD501 2.9 31.3 1.0 C4C A:HEM200 2.9 29.4 1.0 C1D A:HEM200 2.9 26.3 1.0 C1C A:HEM200 3.0 30.0 1.0 C4A A:HEM200 3.0 31.7 1.0 C1A A:HEM200 3.1 25.6 1.0 C1B A:HEM200 3.1 32.2 1.0 C4D A:HEM200 3.1 26.2 1.0 C4B A:HEM200 3.1 26.7 1.0 C5 A:IMD502 3.1 26.2 1.0 CHD A:HEM200 3.2 26.8 1.0 CHB A:HEM200 3.4 32.4 1.0 CHC A:HEM200 3.4 28.6 1.0 CHA A:HEM200 3.5 28.9 1.0 N3 A:IMD501 4.0 26.5 1.0 C4 A:IMD501 4.0 33.2 1.0 N3 A:IMD502 4.0 30.4 1.0 C3C A:HEM200 4.2 22.5 1.0 C2D A:HEM200 4.2 24.2 1.0 C4 A:IMD502 4.2 26.4 1.0 C2C A:HEM200 4.2 27.9 1.0 C3A A:HEM200 4.3 30.8 1.0 C3D A:HEM200 4.3 23.7 1.0 C2A A:HEM200 4.3 31.2 1.0 C2B A:HEM200 4.3 30.2 1.0 C3B A:HEM200 4.3 26.5 1.0

Iron binding site 2 out of 3 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:29.3 occ:1.00 FE B:HEM200 0.0 29.3 1.0 N1 B:IMD502 1.9 29.1 1.0 N1 B:IMD501 2.0 31.7 1.0 NC B:HEM200 2.3 26.1 1.0 NA B:HEM200 2.3 35.3 1.0 NB B:HEM200 2.3 33.1 1.0 ND B:HEM200 2.3 27.9 1.0 C5 B:IMD501 2.9 36.1 1.0 C2 B:IMD502 2.9 29.9 1.0 C5 B:IMD502 2.9 34.8 1.0 C2 B:IMD501 3.1 32.2 1.0 C1D B:HEM200 3.1 31.1 1.0 C4C B:HEM200 3.1 30.3 1.0 C4A B:HEM200 3.1 33.6 1.0 C1B B:HEM200 3.1 33.9 1.0 C4D B:HEM200 3.2 32.5 1.0 C1C B:HEM200 3.2 30.2 1.0 C4B B:HEM200 3.2 32.3 1.0 C1A B:HEM200 3.2 30.9 1.0 CHD B:HEM200 3.4 25.8 1.0 CHB B:HEM200 3.4 29.6 1.0 CHC B:HEM200 3.5 29.5 1.0 CHA B:HEM200 3.5 29.7 1.0 N3 B:IMD502 4.1 27.1 1.0 C4 B:IMD501 4.1 35.3 1.0 C4 B:IMD502 4.1 29.6 1.0 N3 B:IMD501 4.1 31.9 1.0 C3C B:HEM200 4.3 27.1 1.0 C2D B:HEM200 4.3 27.8 1.0 C3A B:HEM200 4.3 31.9 1.0 C2C B:HEM200 4.3 29.0 1.0 C3D B:HEM200 4.3 30.2 1.0 C2B B:HEM200 4.3 32.9 1.0 C2A B:HEM200 4.3 36.3 1.0 C3B B:HEM200 4.3 32.2 1.0

Iron binding site 3 out of 3 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 3 of Structural Insights Into the Molecular Mechanism of H-Nox Activation within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:31.8 occ:1.00 FE C:HEM200 0.0 31.8 1.0 N1 C:IMD502 1.7 34.2 1.0 N1 C:IMD501 2.0 33.7 1.0 NB C:HEM200 2.3 36.7 1.0 NA C:HEM200 2.3 38.0 1.0 NC C:HEM200 2.3 30.6 1.0 ND C:HEM200 2.3 30.9 1.0 C5 C:IMD502 2.6 34.9 1.0 C2 C:IMD502 2.8 36.3 1.0 C2 C:IMD501 2.9 36.4 1.0 C5 C:IMD501 3.0 37.1 1.0 C4A C:HEM200 3.1 41.2 1.0 C1B C:HEM200 3.1 38.3 1.0 C1D C:HEM200 3.1 30.9 1.0 C4C C:HEM200 3.1 33.5 1.0 C4D C:HEM200 3.2 35.6 1.0 C4B C:HEM200 3.2 41.1 1.0 C1A C:HEM200 3.2 37.8 1.0 C1C C:HEM200 3.2 34.4 1.0 CHB C:HEM200 3.3 38.6 1.0 CHD C:HEM200 3.4 29.2 1.0 CHC C:HEM200 3.5 35.0 1.0 CHA C:HEM200 3.5 34.0 1.0 C4 C:IMD502 3.8 37.4 1.0 N3 C:IMD502 3.8 35.7 1.0 N3 C:IMD501 4.0 33.5 1.0 C4 C:IMD501 4.1 36.5 1.0 C3A C:HEM200 4.3 43.6 1.0 C2B C:HEM200 4.3 37.9 1.0 C2D C:HEM200 4.3 33.5 1.0 C3B C:HEM200 4.3 37.0 1.0 C2A C:HEM200 4.3 40.8 1.0 C3C C:HEM200 4.3 30.8 1.0 C3D C:HEM200 4.4 32.0 1.0 C2C C:HEM200 4.4 33.9 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