Research workbench
Crystal structure of the papd chaperone (C-terminally 6X histidine-tagged) bound to the pape pilus subunit (N- terminal-deleted) from uropathogenic E. COLI
Analyse Crystal structure of the papd chaperone (C-terminally 6X histidine-tagged)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1N0L
- Type
- protein
- Length
- 655 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chaperone protein papd; Mature fimbrial protein pape
- UniProt
- P15319, P08407
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 3 distinct chains · 4% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Chaperone protein papd | protein | 215 | 7% helix, 50% strand | P15319 |
| B | Mature fimbrial protein pape | protein | 118 | 0% helix, 45% strand | P08407 |
| D | Mature fimbrial protein pape | protein | 107 | 0% helix, 50% strand | P08407 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 274 | 0.57 | 0.77 | 39 | empty |
| 2 | 223 | 0.53 | 0.77 | 39 | empty |
| 3 | 122 | 0.40 | 0.75 | 27 | empty |
| 4 | 107 | 0.37 | 0.75 | 22 | empty |
| 5 | 54 | 0.32 | 0.78 | 14 | empty |
Interfaces
2 interfaces between chains.
- C–D · 1625 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 1625 Ų buried · 33 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified, 4 disulfide (engineered, disulfide).
Compared structures
- 1N0L · Crystal structure of the PapD chaperone (C-terminally 6x histidine-tagged) bound to the… · the same entry in another collection · chain A against A, TM-score 1.00
- P15319 · AlphaFold monomer V2.0 prediction for chaperone protein papd (P15319) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P08407 · AlphaFold monomer V2.0 prediction for fimbrial protein pape (P08407) · a predicted model of the same protein · chain B against A, TM-score 0.87
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 P15319
- Every structure of UniProt P08407
- Elsewhere: RCSB PDB 1N0L · PDBe 1N0L · UniProt P15319 · UniProt P08407
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