MolNFT v1 · #19265 · protein
E. COLI ferric hydroxamate receptor (fhua)
1QFG · Protein (ferric hydroxamate uptake receptor): “E. COLI ferric hydroxamate receptor (fhua)”. X-ray diffraction, 13 ligands (FTT, DDQ, DPO), 4 pockets (best druggability 0.88). MolNFT v1 #19265 on GenesisL1: 3D structure, binding…
- PDB
- 1QFG
- Type
- protein
- Length
- 707 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (ferric hydroxamate uptake receptor)
- UniProt
- P06971
- Ligands
- FTT, DDQ, DPO, PA1, GCN, DAO, MYR, KDO, GMH, GLC, GLA, NI, PO4
- Pockets
- 4 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (ferric hydroxamate uptake receptor) | protein | 707 | 7% helix, 56% strand | P06971 |
Ligands and binding sites
- FTT · 3-hydroxy-tetradecanoic acid · ligand · 4 copies · chains A
- DDQ · Decylamine-N,N-dimethyl-N-oxide · ligand · 3 copies · chains A
- DPO · Diphosphate · ligand · 2 copies · chains A
- PA1 · 2-amino-2-deoxy-alpha-D-glucopyranose · ligand · chains A
- GCN · 2-amino-2,3-dideoxy-alpha-D-glucoyranose · ligand · chains A
- DAO · Lauric acid · ligand · chains A
- MYR · Myristic acid · ligand · chains A
- KDO · 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid · sugar · 2 copies · chains A
- GMH · L-glycero-alpha-D-manno-heptopyranose · sugar · 2 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · 2 copies
- GLA · alpha-D-galactopyranose · sugar
- NI · Nickel (II) ion · metal
- PO4 · Phosphate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1069 | 0.88 | 0.90 | 183 | GOL |
| 2 | 254 | 0.66 | 0.83 | 32 | empty |
| 3 | 367 | 0.63 | 0.79 | 39 | empty |
| 4 | 62 | 0.33 | 0.77 | 14 | GOL |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 P06971
- Elsewhere: RCSB PDB 1QFG · PDBe 1QFG · UniProt P06971
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