MolNFT v1 · #27674 · protein
Crystal structure of the HSPBP1 core domain complexed with the fragment of HSP70 ATPase domain
1XQS · HSPBP1 protein: “Crystal structure of the HSPBP1 core domain complexed with the fragment of HSP70 ATPase domain”. X-ray diffraction, 1 ligand (AMP), 8 pockets (best druggability 0.56). MolNFT v1 #27674 on GenesisL1: 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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