MolNFT v1 · #173469 · protein
Crystal structure of the E. COLI type 1 pilus assembly inhibitor fimi bound to fimc
7B0W · Chaperone protein fimc: “Crystal structure of the E. COLI type 1 pilus assembly inhibitor fimi bound to fimc”. X-ray diffraction, 5 pockets (best druggability 0.54). MolNFT v1 #173469 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7B0W
- Type
- protein
- Length
- 341 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chaperone protein fimc; Fimbrin-like protein fimi
- UniProt
- P31697, P39264
- Pockets
- 5 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Chaperone protein fimc | protein | 206 | 3% helix, 54% strand | P31697 |
| I | Fimbrin-like protein fimi | protein | 135 | 5% helix, 43% strand | P39264 |
Ligands and binding sites
- FMT · Formic acid · additive · 10 copies · chains C, I
- EDO · 1,2-ethanediol · additive · 2 copies · chains C, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.54 | 0.86 | 23 | EDO, FMT |
| 2 | 88 | 0.47 | 0.81 | 17 | empty |
| 3 | 126 | 0.38 | 0.74 | 19 | empty |
| 4 | 50 | 0.29 | 0.76 | 15 | FMT |
| 5 | 59 | 0.25 | 0.72 | 14 | empty |
Interfaces
1 interface between chains.
- C–I · 1843 Ų buried · 46 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7B0W · Crystal structure of the E. coli type 1 pilus assembly inhibitor FimI bound to FimC · the same entry in another collection · chain C against C, TM-score 1.00
- P31697 · AlphaFold monomer V2.0 prediction for chaperone protein fimc (P31697) · a predicted model of the same protein · chain C against A, TM-score 0.97
- P39264 · AlphaFold monomer V2.0 prediction for fimbrin-like protein fimi (P39264) · a predicted model of the same protein · chain I against A, TM-score 0.90
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 P39264
- Elsewhere: RCSB PDB 7B0W · PDBe 7B0W · UniProt P31697 · UniProt P39264
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