MolNFT v1 · #6612 · protein
Fhua in complex with lipopolysaccharide and rifamycin CGP4832
1FI1 · Ferrichrome-iron receptor: “Fhua in complex with lipopolysaccharide and rifamycin CGP4832”. X-ray diffraction, 14 ligands (FTT, DPO, PA1), 7 pockets (best druggability 0.89). MolNFT v1 #6612 on GenesisL1: 3D structure, binding sites…
- PDB
- 1FI1
- Type
- protein
- Length
- 707 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrichrome-iron receptor
- UniProt
- P06971
- Ligands
- FTT, DPO, PA1, GCN, RIF, DDQ, GMH, GLC, KDO, GLA, NI, NA, MG, PO4
- Pockets
- 7 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrichrome-iron receptor | protein | 707 | 7% helix, 55% strand | P06971 |
Ligands and binding sites
- FTT · 3-hydroxy-tetradecanoic acid · ligand · 6 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
- RIF · Rifamycin cgp 4832 · ligand · chains A
- DDQ · Decylamine-N,N-dimethyl-N-oxide · ligand · chains A
- GMH · L-glycero-alpha-D-manno-heptopyranose · sugar · 3 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · 3 copies
- KDO · 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid · sugar · 2 copies · chains A
- GLA · alpha-D-galactopyranose · sugar
- NI · Nickel (II) ion · metal
- NA · Sodium ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 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 | 1041 | 0.89 | 0.91 | 163 | empty |
| 2 | 81 | 0.75 | 0.98 | 25 | empty |
| 3 | 251 | 0.74 | 0.88 | 37 | empty |
| 4 | 52 | 0.71 | 0.99 | 24 | empty |
| 5 | 325 | 0.69 | 0.82 | 32 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1FI1 · FhuA in complex with lipopolysaccharide and rifamycin CGP4832 · 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 0.97
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 1FI1 · PDBe 1FI1 · UniProt P06971
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