MolNFT v1 · #38838 · protein
Crystal structure of cfae, the adhesive subunit of CFA/I fimbria of enterotoxigenic escherichia COLI
2HB0 · CFA/I fimbrial subunit E: “Crystal structure of cfae, the adhesive subunit of CFA/I fimbria of enterotoxigenic escherichia COLI”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #38838 on GenesisL1: 3D structure…
- PDB
- 2HB0
- Type
- protein
- Length
- 711 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CFA/I fimbrial subunit E
- UniProt
- P25734
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CFA/I fimbrial subunit E | protein | 356 | 3% helix, 53% strand | P25734 |
| B | CFA/I fimbrial subunit E | protein | 355 | 3% helix, 54% strand | P25734 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- MLI · Malonate ion · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.76 | 0.96 | 26 | empty |
| 2 | 200 | 0.63 | 0.83 | 37 | MLI |
| 3 | 76 | 0.47 | 0.82 | 19 | empty |
| 4 | 91 | 0.46 | 0.80 | 20 | PEG |
| 5 | 85 | 0.45 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1132 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 1 covalent (disulfide, additive adduct).
Compared structures
- 2HB0 · Crystal Structure of CfaE, the Adhesive Subunit of CFA/I Fimbria of Enterotoxigenic… · the same entry in another collection · chain A against A, TM-score 1.00
- P25734 · AlphaFold monomer V2.0 prediction for CFA/I fimbrial subunit E (P25734) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P25734
- Elsewhere: RCSB PDB 2HB0 · PDBe 2HB0 · UniProt P25734
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