MolNFT v1 · #61530 · protein
Peptide-binding domain of heat shock 70 kda protein F44E5.5 from C.ELEGANS.
3DOB: “Peptide-binding domain of heat shock 70 kda protein F44E5.5 from C.ELEGANS.”. X-ray diffraction, 3 pockets (best druggability 0.79). MolNFT v1 #61530 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3DOB
- Type
- protein
- Length
- 293 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock 70 kda protein F44E5.5
- UniProt
- Q9XTL8
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock 70 kda protein F44E5.5 | protein | 145 | 17% helix, 43% strand | Q9XTL8 |
| B | Heat shock 70 kda protein F44E5.5 | protein | 148 | 17% helix, 41% strand | Q9XTL8 |
Ligands and binding sites
- BME · Beta-mercaptoethanol · additive · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1061 | 0.79 | 0.81 | 63 | empty |
| 2 | 200 | 0.66 | 0.85 | 26 | empty |
| 3 | 79 | 0.43 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1051 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (additive adduct).
Compared structures
- 3DOB · Peptide-binding domain of Heat shock 70 kDa protein F44E5.5 from C.elegans. · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9XTL8
- Elsewhere: RCSB PDB 3DOB · PDBe 3DOB · UniProt Q9XTL8
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