MolNFT v1 · #72919 · protein
HSP90B N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor
3NMQ · Heat shock protein HSP 90-beta: “HSP90B N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor”. X-ray diffraction, 1 ligand (7PP), 1 pocket (best druggability 0.68). MolNFT v1 #72919 on GenesisL1: 3D…
- PDB
- 3NMQ
- Type
- protein
- Length
- 214 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein HSP 90-beta
- UniProt
- P08238
- Ligands
- 7PP
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP 90-beta | protein | 214 | 44% helix, 22% strand | P08238 |
Ligands and binding sites
- 7PP · 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol · 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 | 283 | 0.68 | 0.83 | 36 | 7PP |
Compared structures
- 3NMQ · Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine… · the same entry in another collection · chain A against A, TM-score 1.00
- P08238 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-beta (P08238) · a predicted model of the same protein · chain A against A, TM-score 0.79
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 P08238
- Elsewhere: RCSB PDB 3NMQ · PDBe 3NMQ · UniProt P08238
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