MolNFT v1 · #119207 · protein
Crystal structure of the siderophore receptor pira from pseudomonas aeruginosa
5FP2 · Ferric enterobactin receptor pira: “Crystal structure of the siderophore receptor pira from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.87). MolNFT v1 #119207 on GenesisL1: 3D…
- PDB
- 5FP2
- Type
- protein
- Length
- 1,054 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric enterobactin receptor pira
- UniProt
- Q9I527
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 5% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric enterobactin receptor pira | protein | 499 | 4% helix, 65% strand | Q9I527 |
| B | Ferric enterobactin receptor pira | protein | 538 | 5% helix, 63% strand | Q9I527 |
| X | Ferric enterobactin receptor pira | protein | 7 | 0% helix, 0% strand | — |
| Z | Ferric enterobactin receptor pira | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1096 | 0.87 | 0.88 | 151 | empty |
| 2 | 1145 | 0.83 | 0.84 | 124 | empty |
| 3 | 551 | 0.80 | 0.87 | 57 | empty |
| 4 | 475 | 0.73 | 0.83 | 49 | empty |
| 5 | 267 | 0.69 | 0.84 | 35 | empty |
Interfaces
3 interfaces between chains.
- A–B · 932 Ų buried · 8 hydrogen bonds · protein-protein
- B–Z · 393 Ų buried · 3 hydrogen bonds · protein-protein
- A–X · 309 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5FP2 · Crystal structure of the siderophore receptor PirA 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 Q9I527
- Elsewhere: RCSB PDB 5FP2 · PDBe 5FP2 · UniProt Q9I527
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