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MolNFT v1 · #102051 · protein

Crystal structure of E. COLI lactose permease G46W,G262W bound to sugar

4OAA · LACTOSE/GALACTOSE transporter: “Crystal structure of E. COLI lactose permease G46W,G262W bound to sugar”. X-ray diffraction, 2 ligands (YIO, GAL), 9 pockets (best druggability 0.86). MolNFT v1 #102051 on GenesisL1: 3D structure…

PDB
4OAA
Type
protein
Length
782 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LACTOSE/GALACTOSE transporter
UniProt
B1XBJ1
Ligands
YIO, GAL
Pockets
9 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLACTOSE/GALACTOSE transporterprotein39180% helix, 0% strandB1XBJ1

Ligands and binding sites

  • YIO · 1-thio-beta-D-galactopyranose · ligand · 2 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111240.860.8683YIO, GAL
211230.840.8580YIO, GAL
32910.510.7340empty
42220.490.7426empty
5690.460.8215empty

Interfaces

1 interface between chains.

  • A–B · 682 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4OAA · Crystal structure of E. coli lactose permease G46W,G262W bound to sugar · the same entry in another collection · chain A against A, TM-score 1.00

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