MolNFT v1 · #125916 · protein
E. COLI F9 pilus adhesin fmlh bound to the thomsen-friedenreich (tf) antigen
5LNE · Putative fml fimbrial adhesin fmld: “E. COLI F9 pilus adhesin fmlh bound to the thomsen-friedenreich (tf) antigen”. X-ray diffraction, 3 ligands (A2G, GAL, NI), 1 pocket (best druggability 0.62). MolNFT v1 #125916 on GenesisL1: 3D…
- PDB
- 5LNE
- Type
- protein
- Length
- 314 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fml fimbrial adhesin fmld
- UniProt
- Q1RBS0
- Ligands
- A2G, GAL, NI
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative fml fimbrial adhesin fmld | protein | 152 | 2% helix, 49% strand | Q1RBS0 |
| B | Putative fml fimbrial adhesin fmld | protein | 162 | 2% helix, 47% strand | Q1RBS0 |
Ligands and binding sites
- A2G · 2-acetamido-2-deoxy-alpha-D-galactopyranose · sugar · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- NI · Nickel (II) ion · metal · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.62 | 0.76 | 59 | empty |
Interfaces
1 interface between chains.
- A–B · 494 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5LNE · E. coli F9 pilus adhesin FmlH bound to the Thomsen-Friedenreich (TF) antigen · 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 Q1RBS0
- Elsewhere: RCSB PDB 5LNE · PDBe 5LNE · UniProt Q1RBS0
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