← Back to search
8cta

Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains

Method: X-RAY DIFFRACTION
▼

1. Protein Identity and Related Structures Protein Identity & Related Structures

Integrase

Human immunodeficiency virus 1

UniProt Q72498

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein homooligomer Homooligomer Protein 4 (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid × 2 1,2-ETHANEDIOL × 5 water × 3 Consistent with protein count
2 Protein homooligomer Homooligomer Protein 4 (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid × 2 1,2-ETHANEDIOL × 10 water × 3 Consistent with protein count
3 Protein homooligomer Homooligomer Protein 4 (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid × 2 1,2-ETHANEDIOL × 7 water × 3 Consistent with protein count
4 Protein homooligomer Homooligomer Protein 4 (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid × 2 1,2-ETHANEDIOL × 5 water × 4 Consistent with protein count

Other States of the Same Protein in the Database

Monomer

None

Homodimer
1k6y 1k6y 3ao1 3ao2 3ao3 3ao4 3l3u 3vq4 3vq5 3vq6 3vq8 3vq9

20 assemblies; showing the first 12

Homotetramer
1k6y 1k6y 8cta 8cta 8cta 8cta

6 assemblies

Other homooligomers

None

Heteromeric or nucleic-acid complex
3ao5 3l3v 3ovn 3vq7 3vqa 3vqq

6 assemblies

View Construct and Data Evidence
UniProt name Q72498_9HIV1
Isoform —
PDB entities 1, 2
Chains and sequence ranges Author chain A； PDBConstruct 2–161； UniProt 766–925 Author chain B； PDBConstruct 2–161； UniProt 766–925 Author chain E； PDBConstruct 2–161； UniProt 766–925 Author chain F； PDBConstruct 2–161； UniProt 766–925 Author chain I； PDBConstruct 2–161； UniProt 766–925 Author chain J； PDBConstruct 2–161； UniProt 766–925 Author chain M； PDBConstruct 2–161； UniProt 766–925 Author chain N； PDBConstruct 2–161； UniProt 766–925 Author chain C； PDBConstruct 2–53； UniProt 935–986 Author chain D； PDBConstruct 2–53； UniProt 935–986 Author chain G； PDBConstruct 2–53； UniProt 935–986 Author chain H； PDBConstruct 2–53； UniProt 935–986 Author chain K； PDBConstruct 2–53； UniProt 935–986 Author chain L； PDBConstruct 2–53； UniProt 935–986 Author chain O； PDBConstruct 2–53； UniProt 935–986 Author chain P； PDBConstruct 2–53； UniProt 935–986

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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id8cta
Deposition date deposition_date2022-05-13
Structure title titleMinimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains
Keywords keywordsVIRAL DNA INTEGRATION, DNA BINDING, LEDGF BINDING, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION
▼

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.

8cta__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

8cta__assembly_2__model_1 | I(q)

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

8cta__assembly_2__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）23.55 Å
Rg (electron density)22.72 Å
Total Rg23.62 Å
Atom count3111
Residues378
Excluded volume55970 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 8cta__assembly_1__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 8cta__assembly_2__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
3 1 8cta__assembly_3__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
4 1 8cta__assembly_4__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
▶

4. Crystallography and Experiment 4. Crystallography & Experiment

▶

5. Entities and Polymers Entities & Polymers (5)

▼

6. Fold Classification (SCOP + CATH) 16 domains

CATH v4.4 (16 domains)

Domain ID domain_id8ctaA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id8ctaB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id8ctaC01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
Domain ID domain_id8ctaD01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
Domain ID domain_id8ctaE01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id8ctaF01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id8ctaG01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
Domain ID domain_id8ctaH01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
Domain ID domain_id8ctaI01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id8ctaJ01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id8ctaK01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
Domain ID domain_id8ctaL01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
Domain ID domain_id8ctaM01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id8ctaN01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id8ctaO01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
Domain ID domain_id8ctaP01
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
▶

7. Citations (1)