GL1X · GenesisL1 explorer

MolNFT v1 · #2490 · protein

Fhua from E. COLI

1BY3 · Protein (ferrichrome-iron receptor precursor (fhua)): “Fhua from E. COLI”. X-ray diffraction, 1 ligand (OES), 6 pockets (best druggability 0.87). MolNFT v1 #2490 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1BY3
Type
protein
Length
695 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (ferrichrome-iron receptor precursor (fhua))
UniProt
P06971
Ligands
OES
Pockets
6 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (ferrichrome-iron receptor precursor (fhua))protein6956% helix, 56% strandP06971

Ligands and binding sites

  • OES · N-octyl-2-hydroxyethyl sulfoxide · ligand · 7 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
112000.870.88171empty
2650.730.9824empty
31730.690.8834empty
41100.630.8828OES
54130.630.7843empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1BY3 · Fhua from E. COLI · the same entry in another collection · chain A against A, TM-score 1.00
  • P06971 · AlphaFold monomer V2.0 prediction for ferrichrome outer membrane TRANSPORTER/PHAGE… · a predicted model of the same protein · chain A against A, TM-score 0.99

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