MolNFT v1 · #119277 · protein
Crystal structure of the siderophore receptor pira from acinetobacter baumannii
5FR8 · Tonb-dependent siderophore receptor: “Crystal structure of the siderophore receptor pira from acinetobacter baumannii”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #119277 on GenesisL1: 3D structure, binding…
- PDB
- 5FR8
- Type
- protein
- Length
- 1,414 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tonb-dependent siderophore receptor
- UniProt
- D0C8V9
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tonb-dependent siderophore receptor | protein | 707 | 8% helix, 51% strand | D0C8V9 |
Ligands and binding sites
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · 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, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 449 | 0.86 | 0.94 | 53 | empty |
| 2 | 443 | 0.86 | 0.93 | 48 | empty |
| 3 | 637 | 0.81 | 0.86 | 80 | empty |
| 4 | 685 | 0.80 | 0.85 | 81 | empty |
| 5 | 665 | 0.80 | 0.85 | 82 | empty |
Interfaces
1 interface between chains.
- A–B · 524 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5FR8 · Crystal structure of the siderophore receptor PirA from Acinetobacter baumannii · 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 D0C8V9
- Elsewhere: RCSB PDB 5FR8 · PDBe 5FR8 · UniProt D0C8V9
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