MolNFT v1 · #54053 · protein
HSP90 complexed with a resorcylic acid macrolactone.
2XD6 · ATP-dependent molecular chaperone HSP82: “HSP90 complexed with a resorcylic acid macrolactone.”. X-ray diffraction, 1 ligand (XD6), 1 pocket (best druggability 0.62). MolNFT v1 #54053 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2XD6
- Type
- protein
- Length
- 214 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent molecular chaperone HSP82
- UniProt
- P02829
- Ligands
- XD6
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-dependent molecular chaperone HSP82 | protein | 214 | 42% helix, 22% strand | P02829 |
Ligands and binding sites
- XD6 · (5Z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-6-carbaldehyde · ligand · chains A
- GOL · Glycerol · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 229 | 0.62 | 0.81 | 27 | XD6, GOL |
Compared structures
- 2XD6 · Hsp90 complexed with a resorcylic acid macrolactone. · the same entry in another collection · chain A against A, TM-score 1.00
- P02829 · AlphaFold monomer V2.0 prediction for ATP-dependent molecular chaperone HSP82 (P02829) · a predicted model of the same protein · chain A against A, TM-score 0.81
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 P02829
- Elsewhere: RCSB PDB 2XD6 · PDBe 2XD6 · UniProt P02829
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