Research workbench
Crystal structure of the HSPBP1 core domain complexed with the fragment of HSP70 ATPase domain
Analyse Crystal structure of the HSPBP1 core domain complexed with the fragment of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XQS
- Type
- protein
- Length
- 858 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HSPBP1 protein; Heat shock 70 kda protein 1
- UniProt
- Q9NZL4, P08107
- Ligands
- AMP
- Pockets
- 8 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | HSPBP1 protein | protein | 264 | 75% helix, 0% strand | Q9NZL4 |
| C, D | Heat shock 70 kda protein 1 | protein | 165 | 46% helix, 28% strand | P08107 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.56 | 0.85 | 22 | empty |
| 2 | 118 | 0.55 | 0.83 | 23 | empty |
| 3 | 87 | 0.48 | 0.82 | 18 | empty |
| 4 | 161 | 0.47 | 0.76 | 28 | empty |
| 5 | 168 | 0.42 | 0.74 | 26 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1289 Ų buried · 41 hydrogen bonds · protein-protein
- A–C · 1282 Ų buried · 40 hydrogen bonds · protein-protein
- C–D · 258 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1XQS · Crystal structure of the HspBP1 core domain complexed with the fragment of Hsp70 ATPase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NZL4 · AlphaFold monomer V2.0 prediction for HSP70-binding protein 1 (Q9NZL4) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q9NZL4
- Every structure of UniProt P08107
- Elsewhere: RCSB PDB 1XQS · PDBe 1XQS · UniProt Q9NZL4 · UniProt P08107
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