MolNFT v1 · #112972 · protein
Periplasmic binding protein ceue in complex with ferric 4-licam
5A1J · Enterochelin uptake periplasmic binding protein: “Periplasmic binding protein ceue in complex with ferric 4-licam”. X-ray diffraction, 2 ligands (LCM, FE), 1 pocket (best druggability 0.52). MolNFT v1 #112972 on GenesisL1: 3D…
- PDB
- 5A1J
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enterochelin uptake periplasmic binding protein
- UniProt
- Q0P8Q4
- Ligands
- LCM, FE
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enterochelin uptake periplasmic binding protein | protein | 288 | 43% helix, 20% strand | Q0P8Q4 |
Ligands and binding sites
- LCM · N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) · 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
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 162 | 0.52 | 0.79 | 33 | empty |
Compared structures
- 5A1J · Periplasmic Binding Protein CeuE in complex with ferric 4-LICAM · 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 Q0P8Q4
- Elsewhere: RCSB PDB 5A1J · PDBe 5A1J · UniProt Q0P8Q4
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