MolNFT v1 · #19788 · protein
X-ray structure of the fimc-fimh chaperone adhesin complex from uropathogenic E.COLI
1QUN · Papd-like chaperone fimc: “X-ray structure of the fimc-fimh chaperone adhesin complex from uropathogenic E.COLI”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #19788 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1QUN
- Type
- protein
- Length
- 3,824 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Papd-like chaperone fimc; Mannose-specific adhesin fimh
- UniProt
- P31697, P08191
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 3% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Papd-like chaperone fimc | protein | 200 | 3% helix, 55% strand | P31697 |
| B, D, F, H, J, L, N, P | Mannose-specific adhesin fimh | protein | 279 | 3% helix, 51% strand | P08191 |
| I, K, M, O | Papd-like chaperone fimc | protein | 198 | 2% helix, 37% strand | P31697 |
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1012 | 0.79 | 0.81 | 91 | empty |
| 2 | 1106 | 0.78 | 0.80 | 108 | empty |
| 3 | 327 | 0.61 | 0.78 | 39 | empty |
| 4 | 342 | 0.61 | 0.78 | 38 | empty |
| 5 | 349 | 0.61 | 0.77 | 40 | empty |
Interfaces
18 interfaces between chains.
- A–B · 1662 Ų buried · 34 hydrogen bonds · protein-protein
- E–F · 1657 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 1656 Ų buried · 32 hydrogen bonds · protein-protein
- G–H · 1648 Ų buried · 34 hydrogen bonds · protein-protein
- O–P · 1629 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 1QUN · X-ray structure of the fimc-fimh chaperone adhesin complex from uropathogenic E.COLI · the same entry in another collection · chain J against J, 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 P31697
- Every structure of UniProt P08191
- Elsewhere: RCSB PDB 1QUN · PDBe 1QUN · UniProt P31697 · UniProt P08191
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