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Crystal structure of rfua (TP0298) of T. pallidum bound to riboflavin

Analyse Crystal structure of rfua (TP0298) of T. pallidum bound to riboflavin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IIL
Type
protein
Length
314 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Membrane lipoprotein TPN38(B)
UniProt
Q56328
Ligands
RBF, NA, K
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMembrane lipoprotein TPN38(B)protein31447% helix, 21% strandQ56328

Ligands and binding sites

  • RBF · Riboflavin · ligand · chains A
  • NA · Sodium ion · metal · 2 copies · chains A
  • K · Potassium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11980.700.8738RBF
2510.310.7714empty

Compared structures

  • 4IIL · Crystal Structure of RfuA (TP0298) of T. pallidum Bound to Riboflavin · the same entry in another collection · chain A against A, TM-score 1.00
  • Q56328 · AlphaFold monomer V2.0 prediction for ABC transporter riboflavin- binding protein rfua… · a predicted model of the same protein · chain A against A, TM-score 1.00

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