MolNFT v1 · #33298 · protein
Crystal structure of an HSP90-SBA1 closed chaperone complex
2CG9 · ATP-dependent molecular chaperone HSP82: “Crystal structure of an HSP90-SBA1 closed chaperone complex”. X-ray diffraction, 1 ligand (ATP), 20 pockets (best druggability 0.85). MolNFT v1 #33298 on GenesisL1: 3D structure, binding…
- PDB
- 2CG9
- Type
- protein
- Length
- 1,457 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent molecular chaperone HSP82; Co-chaperone protein SBA1
- UniProt
- P02829, P28707
- Ligands
- ATP
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-dependent molecular chaperone HSP82 | protein | 609 | 33% helix, 18% strand | P02829 |
| B | ATP-dependent molecular chaperone HSP82 | protein | 618 | 33% helix, 18% strand | P02829 |
| X, Y | Co-chaperone protein SBA1 | protein | 115 | 0% helix, 34% strand | P28707 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · 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, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 916 | 0.85 | 0.86 | 93 | ATP |
| 2 | 997 | 0.82 | 0.83 | 82 | empty |
| 3 | 1056 | 0.81 | 0.82 | 86 | empty |
| 4 | 344 | 0.81 | 0.90 | 41 | ATP |
| 5 | 148 | 0.72 | 0.91 | 31 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3642 Ų buried · 23 hydrogen bonds · protein-protein
- A–X · 985 Ų buried · 12 hydrogen bonds · protein-protein
- B–Y · 952 Ų buried · 7 hydrogen bonds · protein-protein
- B–X · 440 Ų buried · 3 hydrogen bonds · protein-protein
- A–Y · 440 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2CG9 · Crystal structure of an Hsp90-Sba1 closed chaperone complex · 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 B against A, TM-score 0.96
- P28707 · AlphaFold monomer V2.0 prediction for co-chaperone protein SBA1 (P28707) · a predicted model of the same protein · chain X against A, TM-score 0.92
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
- Every structure of UniProt P28707
- Elsewhere: RCSB PDB 2CG9 · PDBe 2CG9 · UniProt P02829 · UniProt P28707
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.