MolNFT v1 · #119190 · protein
Crystal structure of the siderophore receptor piua from pseudomonas aeruginosa
5FOK · Iron transport outer membrane receptor: “Crystal structure of the siderophore receptor piua from pseudomonas aeruginosa”. X-ray diffraction, 2 ligands (NA, SO4), 13 pockets (best druggability 0.85). MolNFT v1 #119190 on GenesisL1…
- PDB
- 5FOK
- Type
- protein
- Length
- 1,307 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron transport outer membrane receptor
- UniProt
- G3XCY8
- Ligands
- NA, SO4
- Pockets
- 13 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron transport outer membrane receptor | protein | 656 | 4% helix, 59% strand | G3XCY8 |
| B | Iron transport outer membrane receptor | protein | 651 | 4% helix, 60% strand | G3XCY8 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1075 | 0.85 | 0.86 | 95 | empty |
| 2 | 1111 | 0.85 | 0.86 | 99 | empty |
| 3 | 1083 | 0.81 | 0.83 | 112 | empty |
| 4 | 1136 | 0.81 | 0.82 | 127 | empty |
| 5 | 83 | 0.77 | 0.99 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1299 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 5FOK · Crystal structure of the siderophore receptor PiuA from Pseudomonas aeruginosa · 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 G3XCY8
- Elsewhere: RCSB PDB 5FOK · PDBe 5FOK · UniProt G3XCY8
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