MolNFT v1 · #33301 · protein
A radicicol analogue bound to the ATP binding site of the N- terminal domain of the yeast HSP90 chaperone
2CGF · ATP-dependent molecular chaperone HSP82: “A radicicol analogue bound to the ATP binding site of the N- terminal domain of the yeast HSP90 chaperone”. X-ray diffraction, 1 ligand (P2N), 1 pocket (best druggability 0.61). MolNFT v1…
- PDB
- 2CGF
- Type
- protein
- Length
- 212 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent molecular chaperone HSP82
- UniProt
- P02829
- Ligands
- P2N
- Pockets
- 1 · best druggability 0.61
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 | 212 | 42% helix, 22% strand | P02829 |
Ligands and binding sites
- P2N · (5Z)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione · ligand · 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 | 251 | 0.61 | 0.80 | 30 | P2N |
Compared structures
- 2CGF · A radicicol analogue bound to the ATP binding site of the N-terminal domain of the yeast… · 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 0.82
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 2CGF · PDBe 2CGF · UniProt P02829
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