MolNFT v1 · #96674 · protein
Synthesis of benzoquinone-ansamycin-inspired macrocyclic lactams from shikimic acid
4JQL · Heat shock protein HSP 90-alpha: “Synthesis of benzoquinone-ansamycin-inspired macrocyclic lactams from shikimic acid”. X-ray diffraction, 2 ligands (VJ6, MG), 1 pocket (best druggability 0.62). MolNFT v1 #96674 on GenesisL1: 3D…
- PDB
- 4JQL
- Type
- protein
- Length
- 215 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein HSP 90-alpha
- UniProt
- P07900
- Ligands
- VJ6, MG
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP 90-alpha | protein | 215 | 40% helix, 22% strand | P07900 |
Ligands and binding sites
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 | 254 | 0.62 | 0.81 | 27 | VJ6 |
Compared structures
- 4JQL · Synthesis of Benzoqui -Ansamycin-Inspired Macrocyclic Lactams from Shikimic Acid · 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 P07900
- Elsewhere: RCSB PDB 4JQL · PDBe 4JQL · UniProt P07900
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