MolNFT v1 · #19264 · protein
E. COLI ferric hydroxamate uptake receptor (fhua) in complex with bound ferrichrome-iron
1QFF: “E. COLI ferric hydroxamate uptake receptor (fhua) in complex with bound ferrichrome-iron”. X-ray diffraction, 14 ligands (FTT, DDQ, PA1), 4 pockets (best druggability 0.82). MolNFT v1 #19264 on GenesisL1: 3D structure, binding sites…
- PDB
- 1QFF
- Type
- protein
- Length
- 707 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric hydroxamate uptake receptor
- UniProt
- P06971
- Ligands
- FTT, DDQ, PA1, GCN, DAO, MYR, DPO, EAP, FCI, KDO, GMH, GLC, GLA, PO4
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric hydroxamate uptake receptor | protein | 707 | 7% helix, 55% strand | P06971 |
Ligands and binding sites
- FTT · 3-hydroxy-tetradecanoic acid · ligand · 4 copies · chains A
- DDQ · Decylamine-N,N-dimethyl-N-oxide · 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
- DPO · Diphosphate · ligand · chains A
- EAP · 2-amino-vinyl-phosphate · ligand · chains A
- FCI · Ferricrocin-iron · 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
- PO4 · Phosphate ion · ion · 2 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 | 793 | 0.82 | 0.85 | 109 | empty |
| 2 | 994 | 0.79 | 0.81 | 106 | FCI |
| 3 | 216 | 0.51 | 0.77 | 29 | empty |
| 4 | 59 | 0.33 | 0.77 | 13 | empty |
Modifications
Observed in the structure: 10 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 1QFF · E. COLI ferric hydroxamate uptake receptor (fhua) in complex with bound ferrichrome-iron · the same entry in another collection · chain A against A, TM-score 1.00
- P06971 · AlphaFold monomer V2.0 prediction for ferrichrome outer membrane TRANSPORTER/PHAGE… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 1QFF · PDBe 1QFF · UniProt P06971
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