MolNFT v1 · #58791 · protein
Crystal structure of fite (crystal form 1), a group III periplasmic siderophore binding protein
3BE5 · Putative iron compound-binding protein of ABC transporter…: “Crystal structure of fite (crystal form 1), a group III periplasmic siderophore binding protein”. X-ray diffraction, 1 ligand (CL), 12 pockets (best druggability 0.78).…
- PDB
- 3BE5
- Type
- protein
- Length
- 1,176 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative iron compound-binding protein of ABC transporter family
- UniProt
- Q8XBR1
- Ligands
- CL
- Pockets
- 12 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Putative iron compound-binding protein of ABC transporter family | protein | 294 | 43% helix, 19% strand | Q8XBR1 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 806 | 0.78 | 0.82 | 103 | CL |
| 2 | 510 | 0.77 | 0.84 | 51 | empty |
| 3 | 520 | 0.73 | 0.82 | 46 | empty |
| 4 | 217 | 0.66 | 0.84 | 40 | empty |
| 5 | 237 | 0.63 | 0.82 | 33 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1906 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 1875 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 1349 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified, 4 disulfide (engineered, disulfide).
Compared structures
- 3BE5 · Crystal structure of FitE (crystal form 1), a group III periplasmic siderophore binding… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8XBR1
- Elsewhere: RCSB PDB 3BE5 · PDBe 3BE5 · UniProt Q8XBR1
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