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Crystal structure of the ligand binding domain (lbd) of rev-erb beta bound to cobalt protoporphyrin IX

Analyse Crystal structure of the ligand binding domain (lbd) of rev-erb beta bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4N73
Type
protein
Length
198 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclear receptor subfamily 1 group D member 2
UniProt
Q14995
Ligands
COH
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclear receptor subfamily 1 group D member 2protein19866% helix, 4% strandQ14995

Ligands and binding sites

  • COH · Protoporphyrin IX containing co · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13930.710.8241COH
2560.340.7813empty
3510.330.7813empty

Compared structures

  • 4N73 · Crystal structure of the ligand binding domain (LBD) of REV-ERB beta bound to Cobalt… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14995 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 1 group D member 2… · a predicted model of the same protein · chain A against A, TM-score 0.89

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