Iron in PDB 3tkt: Crystal Structure of CYP108D1 From Novosphingobium Aromaticivorans DSM12444

The structure of Crystal Structure of CYP108D1 From Novosphingobium Aromaticivorans DSM12444, PDB code: 3tkt was solved by W.Yang, S.G.Bell, H.Wang, W.Zhou, M.Bartlam, L.-L.Wong, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	93.979, 93.979, 299.366, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 23.4

The binding sites of Iron atom in the Crystal Structure of CYP108D1 From Novosphingobium Aromaticivorans DSM12444 (pdb code 3tkt). 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 Crystal Structure of CYP108D1 From Novosphingobium Aromaticivorans DSM12444, PDB code: 3tkt:

Iron binding site 1 out of 1 in the Crystal Structure of CYP108D1 From Novosphingobium Aromaticivorans DSM12444


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of CYP108D1 From Novosphingobium Aromaticivorans DSM12444 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe431 b:23.5 occ:1.00 FE A:HEM431 0.0 23.5 1.0 NB A:HEM431 2.0 21.9 1.0 NC A:HEM431 2.1 20.6 1.0 NA A:HEM431 2.1 20.6 1.0 ND A:HEM431 2.1 21.0 1.0 SG A:CYS379 2.3 21.0 1.0 C4B A:HEM431 3.0 20.6 1.0 C1C A:HEM431 3.0 21.2 1.0 C1B A:HEM431 3.1 21.4 1.0 C4D A:HEM431 3.1 20.9 1.0 C4C A:HEM431 3.1 20.8 1.0 C1A A:HEM431 3.1 20.3 1.0 C4A A:HEM431 3.1 19.2 1.0 C1D A:HEM431 3.1 19.2 1.0 CB A:CYS379 3.2 22.2 1.0 O A:HOH697 3.3 39.5 1.0 CHC A:HEM431 3.4 21.6 1.0 CHA A:HEM431 3.4 18.7 1.0 CHB A:HEM431 3.5 20.5 1.0 CHD A:HEM431 3.5 20.4 1.0 CA A:CYS379 3.9 22.5 1.0 C3B A:HEM431 4.3 20.2 1.0 C2B A:HEM431 4.3 18.9 1.0 C2C A:HEM431 4.3 21.5 1.0 C3C A:HEM431 4.3 19.7 1.0 C3D A:HEM431 4.3 20.8 1.0 C2A A:HEM431 4.3 19.4 1.0 C2D A:HEM431 4.3 19.0 1.0 C3A A:HEM431 4.4 19.3 1.0 O A:ALA269 4.4 22.1 1.0 CB A:ALA269 4.5 21.5 1.0 C A:CYS379 4.5 22.9 1.0 N A:GLY381 4.5 22.0 1.0 N A:LEU380 4.6 22.0 1.0 CA A:GLY381 5.0 20.7 1.0

S.G.Bell, W.Yang, J.A.Yorke, W.Zhou, H.Wang, J.Harmer, R.Copley, A.Zhang, R.Zhou, M.Bartlam, Z.Rao, L.-L.Wong. Structure and Function of CYP108D1 From Novosphingobium Aromaticivorans DSM12444: An Aromatic Hydrocarbon-Binding P450 Enzyme Acta Crystallogr.,Sect.D V. 68 277 2012.
ISSN: ISSN 0907-4449
PubMed: 22349230
DOI: 10.1107/S090744491200145X