MolNFT v1 · #90982 · protein
Crystal structure of the substrate binding domain of E.COLI dnak in complex with the designer peptide nrliltg
4EZY · Chaperone protein dnak: “Crystal structure of the substrate binding domain of E.COLI dnak in complex with the designer peptide nrliltg”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.55). MolNFT v1 #90982 on…
- PDB
- 4EZY
- Type
- protein
- Length
- 224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chaperone protein dnak; Synthetic peptide nrliltg
- UniProt
- P0A6Y8
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chaperone protein dnak | protein | 219 | 42% helix, 26% strand | P0A6Y8 |
| B | Synthetic peptide nrliltg | protein | 5 | 0% helix, 40% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
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 | 125 | 0.55 | 0.82 | 22 | empty |
| 2 | 79 | 0.33 | 0.74 | 16 | empty |
| 3 | 57 | 0.26 | 0.72 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 537 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4EZY · Crystal structure of the substrate binding domain of E.coli DnaK in complex with the… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6Y8 · AlphaFold monomer V2.0 prediction for chaperone protein dnak (P0A6Y8) · a predicted model of the same protein · chain A against A, TM-score 0.46
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 P0A6Y8
- Elsewhere: RCSB PDB 4EZY · PDBe 4EZY · UniProt P0A6Y8
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