MolNFT v1 · #109515 · protein
Crystal structure of fimh in complex with biphenyl alpha-D- mannopyranoside
4X50 · Protein fimh: “Crystal structure of fimh in complex with biphenyl alpha-D- mannopyranoside”. X-ray diffraction, 1 ligand (3X8), 1 pocket (best druggability 0.52). MolNFT v1 #109515 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4X50
- Type
- protein
- Length
- 316 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein fimh
- UniProt
- P08191
- Ligands
- 3X8
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein fimh | protein | 158 | 6% helix, 53% strand | P08191 |
Ligands and binding sites
- 3X8 · biphenyl-4-yl 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 284 | 0.52 | 0.75 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 231 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4X50 · Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside · the same entry in another collection · chain A against A, 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 B 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 4X50 · PDBe 4X50 · UniProt P08191
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