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MolNFT v1 · #128266 · protein

Crystal structure of human CUL3 N-terminal domain bound to KEAP1 btb and 3-box

5NLB · Kelch-like ech-associated protein 1: “Crystal structure of human CUL3 N-terminal domain bound to KEAP1 btb and 3-box”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #128266 on GenesisL1: 3D structure, binding…

PDB
5NLB
Type
protein
Length
502 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kelch-like ech-associated protein 1; Cullin-3
UniProt
Q14145, Q13618
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 71% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKelch-like ech-associated protein 1protein15449% helix, 8% strandQ14145
BCullin-3protein34881% helix, 0% strandQ13618

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11720.680.8737empty
22860.600.7837empty
3850.480.8220empty

Interfaces

1 interface between chains.

  • A–B · 864 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 5NLB · Crystal structure of human CUL3 N-terminal domain bound to KEAP1 BTB and 3-box · the same entry in another collection · chain A against A, TM-score 1.00
  • Q13618 · AlphaFold monomer V2.0 prediction for cullin-3 (Q13618) · a predicted model of the same protein · chain B against A, TM-score 0.98

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