Iron in PDB 6wms: Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID2 Peptide

The structure of Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID2 Peptide, PDB code: 6wms was solved by S.A.Mosure, J.Shang, D.J.Kojetin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.70 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.586, 73.4, 59.673, 90, 101.91, 90
R / Rfree (%)	18.8 / 24

The binding sites of Iron atom in the Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID2 Peptide (pdb code 6wms). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID2 Peptide, PDB code: 6wms:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID2 Peptide


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 Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:12.6 occ:1.00 FE A:HEM601 0.0 12.6 1.0 NB A:HEM601 2.0 15.8 1.0 ND A:HEM601 2.0 16.3 1.0 NA A:HEM601 2.0 17.1 1.0 NC A:HEM601 2.1 17.5 1.0 NE2 A:HIS568 2.2 15.6 1.0 SG A:CYS384 2.4 12.4 1.0 C1B A:HEM601 3.0 21.1 1.0 C4B A:HEM601 3.0 20.1 1.0 C1D A:HEM601 3.0 16.8 1.0 C1A A:HEM601 3.0 17.3 1.0 C4A A:HEM601 3.0 15.6 1.0 C4D A:HEM601 3.0 18.5 1.0 CD2 A:HIS568 3.1 18.1 1.0 C4C A:HEM601 3.1 17.5 1.0 C1C A:HEM601 3.1 17.0 1.0 CE1 A:HIS568 3.3 17.1 1.0 CB A:CYS384 3.4 17.9 1.0 CHB A:HEM601 3.4 19.6 1.0 CHA A:HEM601 3.4 18.1 1.0 CHD A:HEM601 3.4 15.9 1.0 CHC A:HEM601 3.4 18.6 1.0 C2B A:HEM601 4.2 22.5 1.0 C3B A:HEM601 4.3 18.8 1.0 C2D A:HEM601 4.3 20.3 1.0 C2A A:HEM601 4.3 21.8 1.0 C3D A:HEM601 4.3 18.2 1.0 C3A A:HEM601 4.3 19.1 1.0 CG A:HIS568 4.3 15.7 1.0 C3C A:HEM601 4.3 16.1 1.0 C2C A:HEM601 4.3 17.9 1.0 CA A:CYS384 4.3 18.6 1.0 ND1 A:HIS568 4.4 18.5 1.0 CG A:MET386 4.9 16.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID2 Peptide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:20.1 occ:1.00 FE B:HEM601 0.0 20.1 1.0 NC B:HEM601 2.0 18.7 1.0 NA B:HEM601 2.0 26.7 1.0 NB B:HEM601 2.0 24.4 1.0 ND B:HEM601 2.0 20.9 1.0 NE2 B:HIS568 2.4 23.7 1.0 SG B:CYS384 2.5 23.3 1.0 C1C B:HEM601 3.0 24.6 1.0 CD2 B:HIS568 3.0 23.1 1.0 C4C B:HEM601 3.0 24.2 1.0 C4B B:HEM601 3.0 21.4 1.0 C1D B:HEM601 3.0 20.0 1.0 C4A B:HEM601 3.0 26.5 1.0 C1A B:HEM601 3.0 27.3 1.0 C4D B:HEM601 3.1 21.8 1.0 C1B B:HEM601 3.1 25.9 1.0 CB B:CYS384 3.3 25.3 1.0 CHC B:HEM601 3.4 24.7 1.0 CHD B:HEM601 3.4 25.2 1.0 CHA B:HEM601 3.4 23.9 1.0 CHB B:HEM601 3.4 26.4 1.0 CE1 B:HIS568 3.5 25.4 1.0 C2C B:HEM601 4.2 23.0 1.0 C3C B:HEM601 4.2 25.1 1.0 C2D B:HEM601 4.2 24.2 1.0 C3A B:HEM601 4.2 32.5 1.0 C2A B:HEM601 4.3 27.6 1.0 C3D B:HEM601 4.3 25.6 1.0 C3B B:HEM601 4.3 28.3 1.0 CG B:HIS568 4.3 26.7 1.0 C2B B:HEM601 4.3 28.0 1.0 CA B:CYS384 4.3 27.5 1.0 ND1 B:HIS568 4.5 23.7 1.0 CG B:MET386 4.8 29.1 1.0

S.A.Mosure, T.S.Strutzenberg, J.Shang, P.Munoz-Tello, L.A.Solt, P.R.Griffin, D.J.Kojetin. Structural Basis For Heme-Dependent Ncor Binding to the Transcriptional Repressor Rev-Erb Beta Sci Adv V. 7 2021.
ISSN: ESSN 2375-2548
DOI: 10.1126/SCIADV.ABC6479