MolNFT v1 · #15316 · protein
Crystal structure of the pape (N-terminal-deleted) pilus subunit bound to a peptide corresponding to the N-terminal extension of the papk pilus subunit (residues 1-11) from uropathogenic E. COLI
1N12 · Mature fimbrial protein pape: “Crystal structure of the pape (N-terminal-deleted) pilus subunit bound to a peptide corresponding to the…”. X-ray diffraction, 1 pocket (best druggability 0.44). MolNFT v1 #15316 on GenesisL1: 3D…
- PDB
- 1N12
- Type
- protein
- Length
- 296 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mature fimbrial protein pape; Peptide corresponding to the N-terminal extension of…
- UniProt
- P08407, P42190
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 3 distinct chains · 4% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mature fimbrial protein pape | protein | 138 | 4% helix, 57% strand | P08407 |
| B, D | Peptide corresponding to the N-terminal extension of protein papk | protein | 11 | 0% helix, 82% strand | P42190 |
| C | Mature fimbrial protein pape | protein | 136 | 4% helix, 57% strand | P08407 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.44 | 0.78 | 23 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1050 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 1034 Ų buried · 29 hydrogen bonds · protein-protein
- A–C · 214 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 53 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 1N12 · Crystal structure of the PapE (N-terminal-deleted) pilus subunit bound to a peptide… · the same entry in another collection · chain A against A, TM-score 1.00
- P08407 · AlphaFold monomer V2.0 prediction for fimbrial protein pape (P08407) · a predicted model of the same protein · chain A 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 P08407
- Every structure of UniProt P42190
- Elsewhere: RCSB PDB 1N12 · PDBe 1N12 · UniProt P08407 · UniProt P42190
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