MolNFT v1 · #170332 · protein
Crystal structure of the ferric enterobactin receptor (pfea) in complex with bcv-L5
6Y47: “Crystal structure of the ferric enterobactin receptor (pfea) in complex with bcv-L5”. X-ray diffraction, 2 ligands (OWT, FE), 10 pockets (best druggability 0.86). MolNFT v1 #170332 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6Y47
- Type
- protein
- Length
- 698 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric enterobactin receptor
- UniProt
- Q05098
- Ligands
- OWT, FE
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric enterobactin receptor | protein | 698 | 7% helix, 53% strand | Q05098 |
Ligands and binding sites
- OWT · ~{N}-[(5~{S})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide · ligand · chains A
- FE · Fe (III) ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 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, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.86 | 0.93 | 54 | empty |
| 2 | 143 | 0.78 | 0.96 | 32 | empty |
| 3 | 705 | 0.77 | 0.82 | 91 | empty |
| 4 | 78 | 0.74 | 0.98 | 30 | empty |
| 5 | 53 | 0.71 | 0.99 | 23 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6Y47 · Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L5 · 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 6Y47 · PDBe 6Y47 · UniProt Q05098
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