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5i4v

Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2

Homo sapiens

UniProt P55055

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Insufficient information Heteromer Protein 2 Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2 × 1 （P28702,Q15596） {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 water × 2 Consistent with protein count
2 Insufficient information Heteromer Protein 2 Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2 × 1 （P28702,Q15596） {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
1upv 1upw 6s4n 6s4n 6s4n 6s4n 6s4t 6s4u 6s4u 6s4u 6s5k

11 assemblies

Homodimer
1pq6 1pq6 1pq9 1pq9 1pq9 1pqc 1pqc 3kfc 3kfc 4rak 5jy3 5jy3

19 assemblies; showing the first 12

Homotetramer
1pq9 1pqc 4rak

3 assemblies

Other homooligomers
1pq6

1 assemblies

Heteromeric or nucleic-acid complex
1p8d 1p8d 1p8d 3l0e 3l0e 4dk7 4dk8 5hjp 5hjp 5i4v 5i4v 5kya

15 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name NR1H2_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–251； UniProt 210–460 Author chain E； PDBConstruct 1–251； UniProt 210–460

Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2

Homo sapiens

UniProt Q15596

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Insufficient information Heteromer Protein 2 {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 water × 2 Consistent with protein count
2 Insufficient information Heteromer Protein 2 {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer

None

Homodimer

None

Homotetramer

None

Other homooligomers
4wg0

1 assemblies

Heteromeric or nucleic-acid complex
1gwq 1gwr 1gwr 1m2z 1mv9 1mvc 1mzn 1mzn 1p93 1p93 1p93 1p93

334 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name NCOA2_HUMAN
Isoform —
PDB entities 1, 2
Chains and sequence ranges Author chain A； PDBConstruct 258–270； UniProt 687–699 Author chain E； PDBConstruct 258–270； UniProt 687–699 Author chain B； PDBConstruct 243–255； UniProt 687–699 Author chain F； PDBConstruct 243–255； UniProt 687–699

Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2

Homo sapiens

UniProt P28702

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Insufficient information Heteromer Protein 2 Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2 × 1 （P55055,Q15596） {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 water × 2 Consistent with protein count
2 Insufficient information Heteromer Protein 2 Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2 × 1 （P55055,Q15596） {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer

None

Homodimer

None

Homotetramer

None

Other homooligomers
1h9u

1 assemblies

Heteromeric or nucleic-acid complex
1uhl 5hjp 5hjp 5i4v 5i4v 5kya 5kya 5kyj 5kyj 7a78

10 assemblies

View Construct and Data Evidence
UniProt name RXRB_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 1–236； UniProt 293–528 Author chain F； PDBConstruct 1–236； UniProt 293–528

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id5i4v
Deposition date deposition_date2016-02-12
Structure title titleDiscovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
Keywords keywordsLXRbeta-LBD, RXRbeta-LBD, heterodimer, agonist, DNA BINDING PROTEIN; DNA BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION
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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

5i4v__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

5i4v__assembly_1__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

5i4v__assembly_1__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg（Guinier）24.24 Å
Rg (electron density)22.99 Å
Total Rg23.83 Å
Atom count3841
Residues475
Excluded volume69004 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 5i4v__assembly_1__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 5i4v__assembly_2__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (4)

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6. Fold Classification (SCOP + CATH) 9 domains

SCOP 2.08 (5 domains)

Domain ID domain_idd5i4va_
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain
Domain ID domain_idd5i4vb1
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain
Domain ID domain_idd5i4vb2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd5i4ve1
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain
Domain ID domain_idd5i4vf_
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain

CATH v4.4 (4 domains)

Domain ID domain_id5i4vA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5i4vB00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5i4vE00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5i4vF00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
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7. Citations (1)