MolNFT v1 · #144306 · protein
The crystal structure of the ferric-catecholate import receptor fiu from K12 E. COLI: closed form (C21)
6BPM · Catecholate siderophore receptor fiu: “The crystal structure of the ferric-catecholate import receptor fiu from K12 E. COLI: closed form (C21)”. X-ray diffraction, 1 ligand (POG), 20 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 6BPM
- Type
- protein
- Length
- 1,422 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catecholate siderophore receptor fiu
- UniProt
- P75780
- Ligands
- POG
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A | Catecholate siderophore receptor fiu | protein | 711 | 5% helix, 57% 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 · 6 copies · chains C, A
- BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains C, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 982 | 0.87 | 0.88 | 81 | empty |
| 2 | 994 | 0.86 | 0.88 | 85 | empty |
| 3 | 893 | 0.81 | 0.83 | 77 | POG |
| 4 | 146 | 0.81 | 0.97 | 41 | empty |
| 5 | 1079 | 0.80 | 0.82 | 79 | empty |
Interfaces
1 interface between chains.
- C–A · 1015 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6BPM · The crystal structure of the Ferric-Catecholate import receptor Fiu from K12 E. coli… · the same entry in another collection · chain C against C, 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 6BPM · PDBe 6BPM · UniProt P75780
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