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The crystal structure of the ferric-catecholate import receptor fiu from E. COLI K12: open form (C2221)
Analyse The crystal structure of the ferric-catecholate import receptor fiu from E.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6BPN
- Type
- protein
- Length
- 656 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catecholate siderophore receptor fiu
- UniProt
- P75780
- Ligands
- POG, CL
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catecholate siderophore receptor fiu | protein | 656 | 6% helix, 58% strand | P75780 |
Ligands and binding sites
- POG · (20S)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol · ligand · 4 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- BOG · octyl beta-D-glucopyranoside · additive · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1128 | 0.84 | 0.85 | 93 | CL, TRS |
| 2 | 100 | 0.76 | 0.97 | 34 | empty |
| 3 | 72 | 0.75 | 0.99 | 21 | empty |
| 4 | 92 | 0.73 | 0.95 | 40 | empty |
| 5 | 449 | 0.72 | 0.82 | 58 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6BPN · The crystal structure of the Ferric-Catecholate import receptor Fiu from E. coli K12… · the same entry in another collection · chain A against A, TM-score 1.00
- P75780 · AlphaFold monomer V2.0 prediction for catecholate siderophore receptor fiu (P75780) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P75780
- Elsewhere: RCSB PDB 6BPN · PDBe 6BPN · UniProt P75780
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