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Identification of a Novel Allosteric Binding Site for RORgt Inhibitors

X-ray diffraction
2.24Å resolution
PDB entry 5c4o coloured by chain, front view.
PDB entry 5c4o coloured by chain, side view.
PDB entry 5c4o coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Nuclear receptor ROR-gamma
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Multimeric state: monomeric
Accessible surface area: 12353.99 Å2
Buried surface area: 978.82 Å2
Dissociation area: 33.16 Å2
Dissociation energy (ΔGdiss): -0.35 kcal/mol
Dissociation entropy (TΔSdiss): 0.85 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-156324

Macromolecules

Nuclear receptor ROR-gamma
Chain: A
Length: 241 amino acids
Theoretical weight: 28.18 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51449 (Residues: 267-507; Coverage: 47%)
Gene names: NR1F3, RORC, RORG, RZRG
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
Nuclear receptor ROR-gamma in PDB entry 5c4o, assembly 1, front view.
Nuclear receptor ROR-gamma in PDB entry 5c4o, assembly 1, side view.
Nuclear receptor ROR-gamma in PDB entry 5c4o, assembly 1, top view.
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