Research workbench
Crystal structure of the complex between the BAG5 BD5 and HSP70 nbd
Analyse Crystal structure of the complex between the BAG5 BD5 and HSP70 nbd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3A8Y
- Type
- protein
- Length
- 960 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock 70 kda protein 1; Bag family molecular chaperone regulator 5
- UniProt
- P08107, Q9UL15
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock 70 kda protein 1 | protein | 385 | 38% helix, 26% strand | P08107 |
| B | Heat shock 70 kda protein 1 | protein | 376 | 39% helix, 29% strand | P08107 |
| C | Bag family molecular chaperone regulator 5 | protein | 99 | 65% helix, 2% strand | Q9UL15 |
| D | Bag family molecular chaperone regulator 5 | protein | 100 | 65% helix, 2% strand | Q9UL15 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.73 | 0.94 | 25 | TRS |
| 2 | 759 | 0.69 | 0.77 | 62 | empty |
| 3 | 511 | 0.69 | 0.79 | 65 | TRS |
| 4 | 393 | 0.57 | 0.75 | 40 | empty |
| 5 | 202 | 0.49 | 0.76 | 29 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1335 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 827 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 827 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3A8Y · Crystal structure of the complex between the BAG5 BD5 and Hsp70 NBD · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UL15 · AlphaFold monomer V2.0 prediction for bag family molecular chaperone regulator 5 (Q9UL15) · a predicted model of the same protein · chain C against A, TM-score 0.82
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 P08107
- Every structure of UniProt Q9UL15
- Elsewhere: RCSB PDB 3A8Y · PDBe 3A8Y · UniProt P08107 · UniProt Q9UL15
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