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5c91

NEDD4 HECT with covalently bound indole-based inhibitor

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

E3 ubiquitin-protein ligase NEDD4

Homo sapiens

UniProt P46934

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein monomer Monomer Protein 1 methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate × 1 water × 1 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
2xbf 3b7y 3b7y 4be8 4n7f 4n7f 5aht 5c91 9h9o 9h9t

10 assemblies

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
2kpz 2kq0 2m3o 2xbb 2xbb 4bbn 4n7h 5c7j 5c7j

9 assemblies

View Construct and Data Evidence
UniProt name NEDD4_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–375； UniProt 938–1312

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_id5c91
Deposition date deposition_date2015-06-26
Structure title titleNEDD4 HECT with covalently bound indole-based inhibitor
Keywords keywordsNEDD4, HECT, LIGASE, INHIBITOR, ligase-ligase inhibitor complex; ligase/ligase 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.

5c91__assembly_1__model_1

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

Download this curve (.dat)

5c91__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.

5c91__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）25.15 Å
Rg (electron density)24.02 Å
Total Rg24.81 Å
Atom count3179
Residues375
Excluded volume56669 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 5c91__assembly_1__model_1 monomeric （1） 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) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd5c91a_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.148 — Hect, E3 ligase catalytic domain
Superfamily Superfamily superfamilyd.148.1 — Hect, E3 ligase catalytic domain
Family Family familyd.148.1.0 — automated matches

CATH v4.4 (2 domains)

Domain ID domain_id5c91A01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology2160 — Hect, E3 ligase catalytic domain
Homologous superfamily homologous superfamily10 — Hect, E3 ligase catalytic domain
Domain ID domain_id5c91A02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology2410 — Hect, E3 ligase catalytic fold
Homologous superfamily homologous superfamily10 — Hect, E3 ligase catalytic domain
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7. Citations (1)