MolNFT v1 · #123657 · protein
Crystal structure of fimh A27V/V163A from E. COLI UTI89 bound to fimg N-terminal extension
5JR4 · Type 1 fimbiral adhesin fimh: “Crystal structure of fimh A27V/V163A from E. COLI UTI89 bound to fimg N-terminal extension”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.30). MolNFT v1 #123657 on GenesisL1: 3D…
- PDB
- 5JR4
- Type
- protein
- Length
- 292 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type 1 fimbiral adhesin fimh; Fimg N-terminal extension
- UniProt
- Q1R2J4
- Ligands
- CA
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type 1 fimbiral adhesin fimh | protein | 279 | 2% helix, 52% strand | Q1R2J4 |
| B | Fimg N-terminal extension | protein | 13 | 0% helix, 69% strand | — |
Ligands and binding sites
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 | 58 | 0.30 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1024 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5JR4 · Crystal structure of FimH A27V/V163A from E. coli UTI89 bound to FimG N-terminal extension · 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 Q1R2J4
- Elsewhere: RCSB PDB 5JR4 · PDBe 5JR4 · UniProt Q1R2J4
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