MolNFT v1 · #180676 · protein
Cryo-EM structure of HSP90:P23 closed-state complex
7L7J · Prostaglandin E synthase 3: “Cryo-EM structure of HSP90:P23 closed-state complex”. Electron microscopy, 1 ligand (ANP), 20 pockets (best druggability 0.84). MolNFT v1 #180676 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7L7J
- Type
- protein
- Length
- 1,366 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin E synthase 3; Heat shock protein HSP 90-alpha
- EC
- 5.3.99.3
- UniProt
- Q15185, P07900
- Ligands
- ANP
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 2 distinct chains · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Prostaglandin E synthase 3 (EC 5.3.99.3) | protein | 110 | 0% helix, 50% strand | Q15185 |
| A, B | Heat shock protein HSP 90-alpha | protein | 628 | 41% helix, 20% strand | P07900 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1115 | 0.84 | 0.85 | 100 | empty |
| 2 | 260 | 0.80 | 0.92 | 40 | ANP |
| 3 | 724 | 0.79 | 0.83 | 106 | empty |
| 4 | 249 | 0.78 | 0.91 | 40 | ANP |
| 5 | 951 | 0.77 | 0.80 | 58 | empty |
Interfaces
3 interfaces between chains.
- A–B · 4767 Ų buried · 61 hydrogen bonds · protein-protein
- C–B · 892 Ų buried · 12 hydrogen bonds · protein-protein
- C–A · 563 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7L7J · Cryo-EM structure of Hsp90:p23 closed-state complex · the same entry in another collection · chain C against C, TM-score 1.00
- P07900 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-alpha (P07900) · a predicted model of the same protein · chain A against A, TM-score 0.98
- Q15185 · AlphaFold monomer V2.0 prediction for prostaglandin E synthase 3 (Q15185) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 Q15185
- Every structure of UniProt P07900
- Elsewhere: RCSB PDB 7L7J · PDBe 7L7J · UniProt Q15185 · UniProt P07900
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