Iron in PDB 3cqv: Crystal Structure of Reverb Beta in Complex with Heme

The structure of Crystal Structure of Reverb Beta in Complex with Heme, PDB code: 3cqv was solved by X.Xu, A.Dong, K.I.Pardee, J.Reinking, H.Krause, A.Schuetz, R.Zhang, H.Cui, A.Edwards, C.H.Arrowsmith, J.Weigelt, C.Bountra, A.Savchenko, A.Botchkarev, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.56 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.428, 48.623, 68.954, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.5

The binding sites of Iron atom in the Crystal Structure of Reverb Beta in Complex with Heme (pdb code 3cqv). 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 Reverb Beta in Complex with Heme, PDB code: 3cqv:

Iron binding site 1 out of 1 in the Crystal Structure of Reverb Beta in Complex with Heme


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 Reverb Beta in Complex with Heme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:19.1 occ:1.00 FE A:HEM601 0.0 19.1 1.0 NC A:HEM601 2.0 17.0 1.0 NB A:HEM601 2.0 20.5 1.0 NA A:HEM601 2.1 20.4 1.0 ND A:HEM601 2.1 19.5 1.0 NE2 A:HIS568 2.2 21.4 1.0 SG A:CYS384 2.3 19.8 1.0 C4C A:HEM601 3.0 18.0 1.0 C1D A:HEM601 3.0 18.7 1.0 C1C A:HEM601 3.0 18.4 1.0 C1B A:HEM601 3.1 22.1 1.0 C4A A:HEM601 3.1 21.8 1.0 C4B A:HEM601 3.1 20.1 1.0 C1A A:HEM601 3.1 20.0 1.0 C4D A:HEM601 3.1 17.8 1.0 CD2 A:HIS568 3.1 22.1 1.0 CE1 A:HIS568 3.1 22.4 1.0 CB A:CYS384 3.3 20.9 1.0 CHD A:HEM601 3.3 19.0 1.0 CHB A:HEM601 3.4 21.2 1.0 CHA A:HEM601 3.5 19.7 1.0 CHC A:HEM601 3.5 16.8 1.0 C3C A:HEM601 4.2 19.0 1.0 C2C A:HEM601 4.2 16.8 1.0 ND1 A:HIS568 4.3 20.6 1.0 C2A A:HEM601 4.3 20.5 1.0 CG A:HIS568 4.3 21.9 1.0 CA A:CYS384 4.3 21.2 1.0 C2B A:HEM601 4.3 23.3 1.0 C3B A:HEM601 4.3 22.9 1.0 C2D A:HEM601 4.3 18.4 1.0 C3A A:HEM601 4.3 21.6 1.0 C3D A:HEM601 4.3 18.1 1.0 CG A:MSE386 4.8 25.6 1.0

K.I.Pardee, X.Xu, J.Reinking, A.Schuetz, A.Dong, S.Liu, R.Zhang, J.Tiefenbach, G.Lajoie, A.N.Plotnikov, A.Botchkarev, H.M.Krause, A.Edwards. The Structural Basis of Gas-Responsive Transcription By the Human Nuclear Hormone Receptor Rev-Erbbeta. Plos Biol. V. 7 E43 2009.
ISSN: ISSN 1544-9173
PubMed: 19243223
DOI: 10.1371/JOURNAL.PBIO.1000043