MolNFT v1 · #123199 · protein
Crystal structure of the fimh lectin domain from E.COLI K12 in complex with methyl alpha-D-mannopyrannoside in spacegroup P212121
5JCR · Protein fimh: “Crystal structure of the fimh lectin domain from E.COLI K12 in complex with methyl alpha-D-mannopyrannoside…”. X-ray diffraction, 1 ligand (MMA), 1 pocket (best druggability 0.54). MolNFT v1 #123199 on GenesisL1: 3D…
- PDB
- 5JCR
- 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
- MMA
- Pockets
- 1 · best druggability 0.54
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
- MMA · methyl alpha-D-mannopyranoside · sugar · 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 | 285 | 0.54 | 0.75 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 251 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5JCR · Crystal structure of the FimH lectin domain from E.coli K12 in complex with methyl… · 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 5JCR · PDBe 5JCR · UniProt P08191
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