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Crystal structure of RARbeta LBD in complex with agonist BMS411 [4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid]

X-ray diffraction
2.35Å resolution
PDB entry 4jyg coloured by chain, front view.
PDB entry 4jyg coloured by chain, side view.
PDB entry 4jyg coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero tetramer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Retinoic acid receptor beta and Nuclear receptor coactivator 1
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Multimeric state: hetero tetramer
Accessible surface area: 21622.46 Å2
Buried surface area: 4689.91 Å2
Dissociation area: 989.69 Å2
Dissociation energy (ΔGdiss): 3.5 kcal/mol
Dissociation entropy (TΔSdiss): 13.21 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-145478

Macromolecules

Retinoic acid receptor beta
Chains: A, B
Length: 267 amino acids
Theoretical weight: 30.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P10826 (Residues: 176-421; Coverage: 54%)
Gene names: HAP, NR1B2, RARB
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
Retinoic acid receptor beta in PDB entry 4jyg, assembly 1, front view.
Retinoic acid receptor beta in PDB entry 4jyg, assembly 1, side view.
Retinoic acid receptor beta in PDB entry 4jyg, assembly 1, top view.
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Nuclear receptor coactivator 1
Chains: F, G
Length: 13 amino acids
Theoretical weight: 1.59 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 686-698; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1
Nuclear receptor coactivator 1 in PDB entry 4jyg, assembly 1, front view.
Nuclear receptor coactivator 1 in PDB entry 4jyg, assembly 1, side view.
Nuclear receptor coactivator 1 in PDB entry 4jyg, assembly 1, top view.
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