MolNFT v1 · #185616 · protein
Cryo-EM of the complex between human uromodulin (UMOD)/TAMM-horsfall protein (thp) and the fimh lectin domain from uropathogenic E. COLI
7Q3N: “Cryo-EM of the complex between human uromodulin (UMOD)/TAMM-horsfall protein (thp) and the fimh lectin domain…”. Electron microscopy, 5 ligands (NAG, MAN, BMA), 1 pocket (best druggability 0.64). MolNFT v1 #185616 on GenesisL1: 3D…
- PDB
- 7Q3N
- Type
- protein
- Length
- 451 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uromodulin; Type 1 fimbiral adhesin fimh
- UniProt
- P07911, Q1R2J4
- Ligands
- NAG, MAN, BMA, FUC, GAL
- Pockets
- 1 · best druggability 0.64
Structure
electron microscopy · 2 distinct chains · 6% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| U | Uromodulin | protein | 292 | 7% helix, 39% strand | P07911 |
| F | Type 1 fimbiral adhesin fimh | protein | 159 | 5% helix, 52% strand | Q1R2J4 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains U, F
- MAN · alpha-D-mannopyranose · sugar · 6 copies · chains U, F
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains U, F
- FUC · alpha-L-fucopyranose · sugar · chains U
- GAL · beta-D-galactopyranose · sugar · chains U
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 | 495 | 0.64 | 0.76 | 53 | NAG, BMA, MAN |
Interfaces
1 interface between chains.
- U–F · 155 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 19 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 7Q3N · Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and… · the same entry in another collection · chain U against U, TM-score 1.00
- P07911 · AlphaFold monomer V2.0 prediction for uromodulin (P07911) · a predicted model of the same protein · chain U against A, TM-score 0.68
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 P07911
- Every structure of UniProt Q1R2J4
- Elsewhere: RCSB PDB 7Q3N · PDBe 7Q3N · UniProt P07911 · UniProt Q1R2J4
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