GL1X · GenesisL1 explorer

Research workbench

KEAP1 in complex with compound 44

Analyse KEAP1 in complex with compound 44 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6T7Z
Type
protein
Length
292 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
Kelch-like ECH-associated protein 1; ACE-cys-asa-4FB-glu-thr-gly-glu-cys-NH2
UniProt
Q14145
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · resolution 2 · 2 distinct chains · 0% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKelch-like ECH-associated protein 1protein2840% helix, 51% strandQ14145
BACE-cys-asa-4FB-glu-thr-gly-glu-cys-NH2protein80% helix, 0% strand—

Ligands and binding sites

  • ACT · Acetate ion · additive · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15140.740.8256empty

Interfaces

1 interface between chains.

  • A–B · 472 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

  • 6T7Z · KEAP1 in complex with compound 44 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14145 · AlphaFold monomer V2.0 prediction for kelch-like ech-associated protein 1 (Q14145) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.