MolNFT v1 · #23143 · protein
Fimh adhesin receptor binding domain from uropathogenic E. COLI
1TR7 · Fimh protein: “Fimh adhesin receptor binding domain from uropathogenic E. COLI”. X-ray diffraction, 1 ligand (DEG), 1 pocket (best druggability 0.36). MolNFT v1 #23143 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TR7
- Type
- protein
- Length
- 316 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fimh protein
- UniProt
- P08191
- Ligands
- DEG
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Fimh protein | protein | 158 | 6% helix, 53% strand | P08191 |
Ligands and binding sites
- DEG · butyl alpha-D-mannopyranoside · ligand · 2 copies · chains B, A
- CAC · Cacodylate ion · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
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 | 98 | 0.36 | 0.75 | 27 | empty |
Interfaces
1 interface between chains.
- B–A · 338 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1TR7 · FimH adhesin receptor binding domain from uropathogenic E. coli · the same entry in another collection · chain B against B, TM-score 1.00
- P08191 · AlphaFold monomer V2.0 prediction for type 1 fimbrin D-mannose specific adhesin (P08191) · a predicted model of the same protein · chain A against A, TM-score 0.82
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 P08191
- Elsewhere: RCSB PDB 1TR7 · PDBe 1TR7 · UniProt P08191
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