MolNFT v1 · #5568 · protein
Crystal structure of the TPR1 domain of hop in complex with a HSC70 peptide
1ELW · TPR1-domain of hop: “Crystal structure of the TPR1 domain of hop in complex with a HSC70 peptide”. X-ray diffraction, 1 ligand (NI), 3 pockets (best druggability 0.54). MolNFT v1 #5568 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1ELW
- Type
- protein
- Length
- 248 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TPR1-domain of hop; HSC70-peptide
- UniProt
- P31948
- Ligands
- NI
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 3 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TPR1-domain of hop | protein | 117 | 79% helix, 0% strand | P31948 |
| B | TPR1-domain of hop | protein | 115 | 81% helix, 0% strand | P31948 |
| C, D | HSC70-peptide | protein | 8 | 0% helix, 0% strand | — |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 4 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.54 | 0.78 | 32 | NI, TRS |
| 2 | 67 | 0.47 | 0.84 | 20 | empty |
| 3 | 51 | 0.43 | 0.84 | 21 | empty |
Interfaces
4 interfaces between chains.
- A–C · 572 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 552 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 242 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 13 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1ELW · Crystal structure of the TPR1 domain of HOP in complex with a HSC70 peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P31948 · AlphaFold monomer V2.0 prediction for stress-induced-phosphoprotein 1 (P31948) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P31948
- Elsewhere: RCSB PDB 1ELW · PDBe 1ELW · UniProt P31948
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