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4ny4

Crystal structure of CYP3A4 in complex with an inhibitor

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

Cytochrome P450 3A4

Homo sapiens

UniProt P08684

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein monomer Monomer Protein 1 PROTOPORPHYRIN IX CONTAINING FE × 1 ;(8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine ; × 1 Consistent with protein count
2 Protein homooligomer Homooligomer Protein 4 PROTOPORPHYRIN IX CONTAINING FE × 4 ;(8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine ; × 4 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
1tqn 1w0e 1w0f 1w0g 2j0d 2j0d 2v0m 2v0m 2v0m 2v0m 3nxu 3nxu

53 assemblies; showing the first 12

Homodimer
5g5j 5vc0 5vcc 5vcd 5vce 5vcg 6bd7 6bd8 6bdh 6bdi 6bdm 6ma6

71 assemblies; showing the first 12

Homotetramer
1tqn 4i3q 4i4g 4i4h 4ny4 5vc0 5vcc 5vcd 5vce 5vcg 6bcz 6bd5

27 assemblies; showing the first 12

Other homooligomers
5te8

1 assemblies

Heteromeric or nucleic-acid complex

None

View Construct and Data Evidence
UniProt name CP3A4_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–480； UniProt 25–503

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_id4ny4
Deposition date deposition_date2013-12-10
Structure title titleCrystal structure of CYP3A4 in complex with an inhibitor
Keywords keywords;cytochrome P-450, CYP3A4, inhibitor, structure-based drug design, drug metabolism, monooxygenase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex ;; OXIDOREDUCTASE/OXIDOREDUCTASE 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.

4ny4__assembly_1__model_1

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

Download this curve (.dat)

4ny4__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.

4ny4__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）23.80 Å
Rg (electron density)22.57 Å
Total Rg23.56 Å
Atom count3777
Residues460
Excluded volume68516 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 4ny4__assembly_1__model_1 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 4ny4__assembly_2__model_1 tetrameric （4） 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 (3)

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6. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd4ny4a_
Class classa — All alpha proteins
Fold Fold folda.104 — Cytochrome P450
Superfamily Superfamily superfamilya.104.1 — Cytochrome P450
Family Family familya.104.1.1 — Cytochrome P450

CATH v4.4 (1 domains)

Domain ID domain_id4ny4A00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology630 — Cytochrome p450
Homologous superfamily homologous superfamily10 — Cytochrome P450
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7. Citations (1)