MolNFT v1 · #179335 · protein
Kelch domain of human KEAP1 bound to NRF2 cyclic peptide, C[GDPETGE]
7K2H · Kelch-like ech-associated protein 1: “Kelch domain of human KEAP1 bound to NRF2 cyclic peptide, C[GDPETGE]”. X-ray diffraction, 7 pockets (best druggability 0.74). MolNFT v1 #179335 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7K2H
- Type
- protein
- Length
- 578 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kelch-like ech-associated protein 1; Gly-asp-pro-glu-thr-gly-glu
- UniProt
- Q14145
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 0% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kelch-like ech-associated protein 1 | protein | 288 | 0% helix, 50% strand | Q14145 |
| B | Kelch-like ech-associated protein 1 | protein | 283 | 0% helix, 51% strand | Q14145 |
| P | Gly-asp-pro-glu-thr-gly-glu | protein | 7 | 0% helix, 0% strand | — |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.74 | 0.82 | 55 | empty |
| 2 | 387 | 0.71 | 0.83 | 37 | empty |
| 3 | 86 | 0.54 | 0.85 | 21 | empty |
| 4 | 71 | 0.49 | 0.84 | 20 | empty |
| 5 | 51 | 0.48 | 0.86 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 598 Ų buried · 10 hydrogen bonds · protein-protein
- B–P · 451 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7K2H · Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPETGE] · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q14145
- Elsewhere: RCSB PDB 7K2H · PDBe 7K2H · UniProt Q14145
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