Iron in PDB 6wmq: Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID1 Peptide

The structure of Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID1 Peptide, PDB code: 6wmq 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)	53.15 / 2.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	164.57, 48.5, 58.62, 90, 105.3, 90
R / Rfree (%)	19.9 / 27

The binding sites of Iron atom in the Crystal Structure of Human Rev-Erbbeta Ligand Binding Domain Co-Bound to Heme and Ncor ID1 Peptide (pdb code 6wmq). 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 ID1 Peptide, PDB code: 6wmq:
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 ID1 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 ID1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:15.1 occ:1.00 FE A:HEM601 0.0 15.1 1.0 NC A:HEM601 1.9 19.2 1.0 ND A:HEM601 2.0 20.8 1.0 NA A:HEM601 2.1 15.4 1.0 NB A:HEM601 2.1 15.7 1.0 NE2 A:HIS568 2.3 14.3 1.0 SG A:CYS384 2.5 18.4 1.0 C4C A:HEM601 2.9 16.4 1.0 C1D A:HEM601 3.0 14.1 1.0 C1C A:HEM601 3.0 15.8 1.0 C4B A:HEM601 3.1 17.9 1.0 C1A A:HEM601 3.1 19.2 1.0 C4D A:HEM601 3.1 15.9 1.0 C4A A:HEM601 3.1 19.4 1.0 C1B A:HEM601 3.1 14.4 1.0 CD2 A:HIS568 3.2 10.5 1.0 CE1 A:HIS568 3.3 14.6 1.0 CHD A:HEM601 3.3 16.0 1.0 CHC A:HEM601 3.4 14.6 1.0 CHA A:HEM601 3.4 15.7 1.0 CB A:CYS384 3.4 21.9 1.0 CHB A:HEM601 3.5 18.2 1.0 C3C A:HEM601 4.2 17.0 1.0 C2C A:HEM601 4.2 15.6 1.0 C2D A:HEM601 4.2 15.6 1.0 C3D A:HEM601 4.3 21.5 1.0 C2A A:HEM601 4.3 15.3 1.0 C3B A:HEM601 4.3 18.8 1.0 C3A A:HEM601 4.3 14.9 1.0 CA A:CYS384 4.3 24.1 1.0 C2B A:HEM601 4.3 20.0 1.0 CG A:HIS568 4.4 8.3 1.0 ND1 A:HIS568 4.4 16.8 1.0 CD A:PRO385 4.9 24.1 1.0 CG A:MET386 4.9 12.2 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 ID1 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 ID1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:10.4 occ:1.00 FE B:HEM601 0.0 10.4 1.0 NC B:HEM601 2.0 13.6 1.0 NA B:HEM601 2.0 17.1 1.0 NB B:HEM601 2.0 22.1 1.0 ND B:HEM601 2.1 23.2 1.0 NE2 B:HIS568 2.3 15.4 1.0 SG B:CYS384 2.5 21.4 1.0 C1C B:HEM601 3.0 20.2 1.0 C4B B:HEM601 3.0 20.8 1.0 C1A B:HEM601 3.0 22.8 1.0 C4C B:HEM601 3.0 17.4 1.0 C4A B:HEM601 3.0 20.9 1.0 C1B B:HEM601 3.1 18.2 1.0 C4D B:HEM601 3.1 15.8 1.0 CD2 B:HIS568 3.1 15.0 1.0 C1D B:HEM601 3.1 13.4 1.0 CB B:CYS384 3.2 15.7 1.0 CHC B:HEM601 3.4 18.7 1.0 CE1 B:HIS568 3.4 18.2 1.0 CHA B:HEM601 3.4 17.9 1.0 CHB B:HEM601 3.4 15.7 1.0 CHD B:HEM601 3.5 13.0 1.0 C2C B:HEM601 4.2 15.4 1.0 C3C B:HEM601 4.2 17.1 1.0 C3B B:HEM601 4.2 23.9 1.0 C2A B:HEM601 4.2 19.8 1.0 C3A B:HEM601 4.3 21.9 1.0 CA B:CYS384 4.3 27.9 1.0 C2B B:HEM601 4.3 20.0 1.0 C3D B:HEM601 4.3 23.9 1.0 CG B:HIS568 4.3 16.9 1.0 C2D B:HEM601 4.3 19.6 1.0 ND1 B:HIS568 4.4 16.8 1.0 CG B:MET386 4.9 19.4 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