MolNFT v1 · #94429 · protein
Crystal structure of ATBAG1 in complex with HSP70
4HWI · Heat shock cognate 71 kda protein: “Crystal structure of ATBAG1 in complex with HSP70”. X-ray diffraction, 6 pockets (best druggability 0.69). MolNFT v1 #94429 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HWI
- Type
- protein
- Length
- 553 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock cognate 71 kda protein; Bag family molecular chaperone regulator 1
- UniProt
- P11142, Q0WUQ1
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock cognate 71 kda protein | protein | 376 | 41% helix, 30% strand | P11142 |
| B | Bag family molecular chaperone regulator 1 | protein | 177 | 60% helix, 17% strand | Q0WUQ1 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.69 | 0.89 | 33 | empty |
| 2 | 660 | 0.65 | 0.75 | 49 | empty |
| 3 | 99 | 0.43 | 0.78 | 17 | empty |
| 4 | 125 | 0.41 | 0.75 | 17 | empty |
| 5 | 72 | 0.40 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 778 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4HWI · Crystal structure of ATBAG1 in complex with HSP70 · the same entry in another collection · chain A against A, TM-score 1.00
- P11142 · AlphaFold monomer V2.0 prediction for heat shock cognate 71 kda protein (P11142) · a predicted model of the same protein · chain A against A, TM-score 0.85
- Q0WUQ1 · AlphaFold monomer V2.0 prediction for bag family molecular chaperone regulator 1 (Q0WUQ1) · a predicted model of the same protein · chain B against A, TM-score 0.64
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 P11142
- Every structure of UniProt Q0WUQ1
- Elsewhere: RCSB PDB 4HWI · PDBe 4HWI · UniProt P11142 · UniProt Q0WUQ1
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