Iron in PDB 3iqb: Tt I75F/L144F H-Nox

The structure of Tt I75F/L144F H-Nox, PDB code: 3iqb was solved by E.E.Weinert, L.Plate, C.A.Whited, C.Olea Jr, M.A.Marletta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.74 / 2.10
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.490, 75.490, 174.978, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 23.9

The binding sites of Iron atom in the Tt I75F/L144F H-Nox (pdb code 3iqb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Tt I75F/L144F H-Nox, PDB code: 3iqb:

Iron binding site 1 out of 1 in the Tt I75F/L144F H-Nox


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Tt I75F/L144F H-Nox within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:25.3 occ:1.00 FE A:HEM500 0.0 25.3 1.0 NC A:HEM500 2.0 29.7 1.0 ND A:HEM500 2.1 28.2 1.0 NB A:HEM500 2.1 31.8 1.0 NA A:HEM500 2.1 30.2 1.0 NE2 A:HIS102 2.1 29.0 1.0 O1 A:OXY501 2.7 41.5 1.0 CE1 A:HIS102 2.9 33.5 1.0 C4C A:HEM500 3.0 29.9 1.0 C1D A:HEM500 3.0 30.4 1.0 C1C A:HEM500 3.0 30.7 1.0 C4A A:HEM500 3.1 27.3 1.0 C4D A:HEM500 3.1 33.1 1.0 C4B A:HEM500 3.1 34.4 1.0 C1B A:HEM500 3.1 28.8 1.0 C1A A:HEM500 3.1 29.8 1.0 CD2 A:HIS102 3.3 27.6 1.0 CHD A:HEM500 3.4 27.8 1.0 CHB A:HEM500 3.4 23.4 1.0 CHC A:HEM500 3.5 28.8 1.0 O2 A:OXY501 3.5 34.3 1.0 CHA A:HEM500 3.5 29.0 1.0 ND1 A:HIS102 4.1 32.0 1.0 C3C A:HEM500 4.2 33.7 1.0 C2C A:HEM500 4.2 35.5 1.0 C2D A:HEM500 4.3 31.2 1.0 C3A A:HEM500 4.3 29.4 1.0 C3D A:HEM500 4.3 30.3 1.0 CG A:HIS102 4.3 27.3 1.0 C2A A:HEM500 4.3 26.6 1.0 C2B A:HEM500 4.3 28.7 1.0 C3B A:HEM500 4.3 27.9 1.0

E.E.Weinert, L.Plate, C.A.Whited, C.Olea, M.A.Marletta. Determinants of Ligand Affinity and Heme Reactivity in H-Nox Domains. Angew.Chem.Int.Ed.Engl. V. 49 720 2009.
ISSN: ISSN 1433-7851
PubMed: 20017169
DOI: 10.1002/ANIE.200904799