MolNFT v1 · #147170 · protein
The crystal structure of fhue from E. COLI in complex with its substrate coprogen
6E4V · Fhue receptor: “The crystal structure of fhue from E. COLI in complex with its substrate coprogen”. X-ray diffraction, 1 ligand (HWS), 7 pockets (best druggability 0.88). MolNFT v1 #147170 on GenesisL1: 3D structure, binding sites…
- PDB
- 6E4V
- Type
- protein
- Length
- 672 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fhue receptor
- UniProt
- P16869
- Ligands
- HWS
- Pockets
- 7 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 61% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fhue receptor | protein | 672 | 5% helix, 61% strand | P16869 |
Ligands and binding sites
- HWS · Coprogen · ligand · chains A
- BOG · octyl beta-D-glucopyranoside · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 701 | 0.88 | 0.92 | 85 | empty |
| 2 | 89 | 0.76 | 0.98 | 32 | empty |
| 3 | 487 | 0.74 | 0.83 | 57 | empty |
| 4 | 439 | 0.66 | 0.79 | 56 | HWS |
| 5 | 416 | 0.65 | 0.78 | 36 | empty |
Compared structures
- 6E4V · The Crystal Structure of FhuE from E. coli in complex with its substrate Coprogen · the same entry in another collection · chain A against A, TM-score 1.00
- P16869 · AlphaFold monomer V2.0 prediction for fhue receptor (P16869) · a predicted model of the same protein · 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 P16869
- Elsewhere: RCSB PDB 6E4V · PDBe 6E4V · UniProt P16869
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