MolNFT v1 · #127962 · protein
Crystal structure of the ferric enterobactin receptor (pfea) in complex with protochelin from pseudomonas aeruginosa
5NC4: “Crystal structure of the ferric enterobactin receptor (pfea) in complex with protochelin from pseudomonas…”. X-ray diffraction, 2 ligands (8T2, FE), 10 pockets (best druggability 0.86). MolNFT v1 #127962 on GenesisL1: 3D structure…
- PDB
- 5NC4
- Type
- protein
- Length
- 697 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric enterobactin receptor
- UniProt
- Q05098
- Ligands
- 8T2, FE
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric enterobactin receptor | protein | 697 | 7% helix, 54% strand | Q05098 |
Ligands and binding sites
- 8T2 · ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide · ligand · chains A
- FE · Fe (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 498 | 0.86 | 0.93 | 57 | empty |
| 2 | 137 | 0.79 | 0.96 | 28 | empty |
| 3 | 418 | 0.75 | 0.85 | 68 | empty |
| 4 | 71 | 0.73 | 0.98 | 23 | empty |
| 5 | 78 | 0.73 | 0.97 | 34 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5NC4 · Crystal structure of the ferric enterobactin receptor (PfeA) in complex with protochelin… · the same entry in another collection · chain A against A, TM-score 1.00
- Q05098 · AlphaFold monomer V2.0 prediction for ferric enterobactin receptor (Q05098) · a predicted model of the same protein · chain A 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 Q05098
- Elsewhere: RCSB PDB 5NC4 · PDBe 5NC4 · UniProt Q05098
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