MolNFT v1 · #169731 · protein
Full-length HSC82 in complex with two AHA1 ctd in the presence of atpgammas
6XLG · ATP-dependent molecular chaperone HSC82: “Full-length HSC82 in complex with two AHA1 ctd in the presence of atpgammas”. Electron microscopy, 3 ligands (AGS, MG, K), 20 pockets (best druggability 0.82). MolNFT v1 #169731 on…
- PDB
- 6XLG
- Type
- protein
- Length
- 1,504 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent molecular chaperone HSC82; HSP90 co-chaperone AHA1
- UniProt
- P15108, Q12449
- Ligands
- AGS, MG, K
- Pockets
- 20 · best druggability 0.82
Structure
electron microscopy · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | ATP-dependent molecular chaperone HSC82 | protein | 607 | 38% helix, 20% strand | P15108 |
| C, D | HSP90 co-chaperone AHA1 | protein | 145 | 25% helix, 37% strand | Q12449 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · 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, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.82 | 0.96 | 42 | empty |
| 2 | 238 | 0.81 | 0.93 | 38 | AGS, K |
| 3 | 263 | 0.80 | 0.92 | 41 | AGS, MG, K |
| 4 | 126 | 0.75 | 0.95 | 26 | empty |
| 5 | 157 | 0.74 | 0.92 | 30 | empty |
Interfaces
5 interfaces between chains.
- A–B · 4197 Ų buried · 45 hydrogen bonds · protein-protein
- B–D · 1288 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1276 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 751 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 741 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6XLG · Full-length Hsc82 in complex with two Aha1 CTD in the presence of ATPgammaS · the same entry in another collection · chain A against A, TM-score 1.00
- P15108 · AlphaFold monomer V2.0 prediction for ATP-dependent molecular chaperone HSC82 (P15108) · a predicted model of the same protein · chain A against A, TM-score 0.97
- Q12449 · AlphaFold monomer V2.0 prediction for HSP90 co-chaperone AHA1 (Q12449) · a predicted model of the same protein · chain C against A, TM-score 0.95
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 P15108
- Every structure of UniProt Q12449
- Elsewhere: RCSB PDB 6XLG · PDBe 6XLG · UniProt P15108 · UniProt Q12449
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