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5x8x

Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A.

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

Nuclear receptor ROR-gamma

Homo sapiens

UniProt P51449

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 Nuclear receptor corepressor 2 × 1 （Q9Y618） ;(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide ; × 1 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 Nuclear receptor corepressor 2 × 1 （Q9Y618） ;(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide ; × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 Nuclear receptor corepressor 2 × 1 （Q9Y618） ;(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide ; × 1 water × 1 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 2 Nuclear receptor corepressor 2 × 1 （Q9Y618） ;(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide ; × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
3b0w 3b0w 4nb6 4nb6 4qm0 4qm0 4wqp 4wqp 4ymq 4ypq 4zjr 4zjr

149 assemblies; showing the first 12

Homodimer
4qm0 5k6e 5w4r 5w4v 5w4v 5w4v 5x8s 6br3 7xqe 7xqe

10 assemblies

Homotetramer

None

Other homooligomers
5apk

1 assemblies

Heteromeric or nucleic-acid complex
3kyt 3l0j 3l0l 3l0l 4nie 4nie 4s14 4s14 4wlb 4wlb 4wlb 4wlb

108 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name RORG_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–258； UniProt 261–518 Author chain C； PDBConstruct 1–258； UniProt 261–518 Author chain E； PDBConstruct 1–258； UniProt 261–518 Author chain G； PDBConstruct 1–258； UniProt 261–518

Nuclear receptor corepressor 2

Homo sapiens

UniProt Q9Y618

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 Nuclear receptor ROR-gamma × 1 （P51449） ;(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide ; × 1 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 Nuclear receptor ROR-gamma × 1 （P51449） ;(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide ; × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 Nuclear receptor ROR-gamma × 1 （P51449） ;(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide ; × 1 water × 1 Consistent with protein count
4 Protein heterocomplex Heteromer Protein 2 Nuclear receptor ROR-gamma × 1 （P51449） ;(3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide ; × 1 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
1xc5 2ltp

2 assemblies

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
1kkq 1kkq 1kkq 1kkq 1r2b 2gpv 2gpv 2rt5 3r29 3r2a 4a69 4a69

70 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name NCOR2_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 1–22； UniProt 2346–2367 Author chain D； PDBConstruct 1–22； UniProt 2346–2367 Author chain F； PDBConstruct 1–22； UniProt 2346–2367 Author chain H； PDBConstruct 1–22； UniProt 2346–2367

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_id5x8x
Deposition date deposition_date2017-03-03
Structure title titleCrystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A.
Keywords keywordsInhibitor, Ternary Complex, Nuclear Receptor, TRANSFERASE-INHIBITOR complex; TRANSFERASE/INHIBITOR
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.

5x8x__assembly_1__model_1

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

Download this curve (.dat)

5x8x__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.

5x8x__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）19.98 Å
Rg (electron density)18.77 Å
Total Rg19.69 Å
Atom count1991
Residues241
Excluded volume35633 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 5x8x__assembly_1__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 5x8x__assembly_2__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
3 1 5x8x__assembly_3__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
4 1 5x8x__assembly_4__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) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd5x8xa_
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.123.1.0 — automated matches
Domain ID domain_idd5x8xc_
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.123.1.0 — automated matches
Domain ID domain_idd5x8xe_
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.123.1.0 — automated matches
Domain ID domain_idd5x8xg_
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.123.1.0 — automated matches

CATH v4.4 (4 domains)

Domain ID domain_id5x8xA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5x8xC00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5x8xE00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id5x8xG00
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)