MolNFT v1 · #110163 · protein
Crystal structure of the fimh lectin domain from E.COLI F18 in complex with heptyl alpha-D-mannopyrannoside
4XOC · Fimh protein: “Crystal structure of the fimh lectin domain from E.COLI F18 in complex with heptyl alpha-D-mannopyrannoside”. X-ray diffraction, 1 ligand (KGM), 1 pocket (best druggability 0.50). MolNFT v1 #110163 on GenesisL1: 3D…
- PDB
- 4XOC
- Type
- protein
- Length
- 317 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fimh protein
- UniProt
- Q0T8Y8
- Ligands
- KGM
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fimh protein | protein | 158 | 6% helix, 53% strand | Q0T8Y8 |
| B | Fimh protein | protein | 159 | 6% helix, 52% strand | Q0T8Y8 |
Ligands and binding sites
- KGM · heptyl alpha-D-mannopyranoside · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 224 | 0.50 | 0.75 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 538 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4XOC · Crystal structure of the FimH lectin domain from E.coli F18 in complex with heptyl… · the same entry in another collection · chain A against A, 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 Q0T8Y8
- Elsewhere: RCSB PDB 4XOC · PDBe 4XOC · UniProt Q0T8Y8
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