MolNFT v1 · #144308 · protein
The crystal structure of the ferric-catecholate import receptor fiu from K12 E. COLI: closed form (P1)
6BPO · Catecholate siderophore receptor fiu: “The crystal structure of the ferric-catecholate import receptor fiu from K12 E. COLI: closed form (P1)”. X-ray diffraction, 20 pockets (best druggability 0.87). MolNFT v1 #144308 on GenesisL1…
- PDB
- 6BPO
- Type
- protein
- Length
- 2,844 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catecholate siderophore receptor fiu
- UniProt
- P75780
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Catecholate siderophore receptor fiu | protein | 711 | 5% helix, 55% strand | P75780 |
Ligands and binding sites
- BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1165 | 0.87 | 0.89 | 115 | empty |
| 2 | 980 | 0.87 | 0.88 | 79 | empty |
| 3 | 1055 | 0.87 | 0.88 | 97 | empty |
| 4 | 998 | 0.87 | 0.88 | 85 | empty |
| 5 | 1038 | 0.77 | 0.79 | 88 | empty |
Interfaces
2 interfaces between chains.
- A–B · 258 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 252 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6BPO · The crystal structure of the Ferric-Catecholate import receptor Fiu from K12 E. coli… · the same entry in another collection · chain D against D, TM-score 1.00
- P75780 · AlphaFold monomer V2.0 prediction for catecholate siderophore receptor fiu (P75780) · a predicted model of the same protein · chain C 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 6BPO · PDBe 6BPO · UniProt P75780
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