Research workbench
Kelch domain of human KEAP1 bound to NRF2-based cyclic peptide, C[GDEETGE]
Analyse Kelch domain of human KEAP1 bound to NRF2-based cyclic peptide, C[GDEETGE] in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7K2E
- Type
- protein
- Length
- 579 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kelch-like ech-associated protein 1; Gly-asp-glu-glu-thr-gly-glu
- UniProt
- Q14145
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 0% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kelch-like ech-associated protein 1 | protein | 282 | 0% helix, 50% strand | Q14145 |
| B | Kelch-like ech-associated protein 1 | protein | 290 | 0% helix, 49% strand | Q14145 |
| P | Gly-asp-glu-glu-thr-gly-glu | protein | 7 | 0% helix, 0% strand | — |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 516 | 0.75 | 0.84 | 59 | empty |
| 2 | 553 | 0.72 | 0.81 | 55 | empty |
| 3 | 61 | 0.58 | 0.90 | 16 | empty |
| 4 | 126 | 0.57 | 0.83 | 30 | empty |
| 5 | 52 | 0.27 | 0.74 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 540 Ų buried · 9 hydrogen bonds · protein-protein
- A–P · 473 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7K2E · Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[GDEETGE] · 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 7K2E · PDBe 7K2E · UniProt Q14145
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