Iron in PDB 4qi6: Cellobiose Dehydrogenase From Myriococcum Thermophilum, Mtcdh

The structure of Cellobiose Dehydrogenase From Myriococcum Thermophilum, Mtcdh, PDB code: 4qi6 was solved by T.C.Tan, R.Gandini, C.Sygmund, R.Kittl, D.Haltrich, R.Ludwig, B.M.Hallberg, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.35 / 3.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	156.151, 156.151, 85.337, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 27.3

The binding sites of Iron atom in the Cellobiose Dehydrogenase From Myriococcum Thermophilum, Mtcdh (pdb code 4qi6). 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 Cellobiose Dehydrogenase From Myriococcum Thermophilum, Mtcdh, PDB code: 4qi6:

Iron binding site 1 out of 1 in the Cellobiose Dehydrogenase From Myriococcum Thermophilum, Mtcdh


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cellobiose Dehydrogenase From Myriococcum Thermophilum, Mtcdh within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:38.5 occ:1.00 FE A:HEM901 0.0 38.5 1.0 NC A:HEM901 2.0 38.3 1.0 NA A:HEM901 2.0 39.0 1.0 NB A:HEM901 2.1 39.0 1.0 ND A:HEM901 2.1 37.2 1.0 SD A:MET74 2.2 89.5 1.0 NE2 A:HIS176 2.6 88.9 1.0 CE A:MET74 2.9 83.8 1.0 C1C A:HEM901 3.0 39.5 1.0 C4C A:HEM901 3.0 37.2 1.0 CG A:MET74 3.1 86.0 1.0 C4A A:HEM901 3.1 39.7 1.0 C1A A:HEM901 3.1 40.8 1.0 C4B A:HEM901 3.2 39.8 1.0 C1D A:HEM901 3.2 36.7 1.0 C4D A:HEM901 3.2 39.9 1.0 C1B A:HEM901 3.2 38.6 1.0 CHC A:HEM901 3.5 40.4 1.0 CE1 A:HIS176 3.5 95.7 1.0 CHD A:HEM901 3.5 36.7 1.0 CD2 A:HIS176 3.6 90.2 1.0 CHB A:HEM901 3.6 39.6 1.0 CHA A:HEM901 3.6 40.0 1.0 CB A:MET74 3.8 82.2 1.0 C3C A:HEM901 4.2 37.5 1.0 C2C A:HEM901 4.2 37.7 1.0 C3A A:HEM901 4.4 39.9 1.0 C2A A:HEM901 4.4 39.2 1.0 C3B A:HEM901 4.5 40.1 1.0 C2D A:HEM901 4.5 37.5 1.0 C3D A:HEM901 4.6 37.9 1.0 C2B A:HEM901 4.6 41.1 1.0 ND1 A:HIS176 4.7 99.0 1.0 CG A:HIS176 4.7 99.9 1.0

T.C.Tan, D.Kracher, R.Gandini, C.Sygmund, R.Kittl, D.Haltrich, B.M.Hallberg, R.Ludwig, C.Divne. Structural Basis For Cellobiose Dehydrogenase Action During Oxidative Cellulose Degradation. Nat Commun V. 6 7542 2015.
ISSN: ESSN 2041-1723
PubMed: 26151670
DOI: 10.1038/NCOMMS8542