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MolNFT v1 · #124329 · protein

Crystal structure of tmribu, hexagonal crystal form

5KC0 · Riboflavin transporter ribu: “Crystal structure of tmribu, hexagonal crystal form”. X-ray diffraction, 2 ligands (BNG, RBF), 2 pockets (best druggability 0.75). MolNFT v1 #124329 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5KC0
Type
protein
Length
166 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Riboflavin transporter ribu
UniProt
Q9X1G6
Ligands
BNG, RBF
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARiboflavin transporter ribuprotein16676% helix, 1% strandQ9X1G6

Ligands and binding sites

  • BNG · nonyl beta-D-glucopyranoside · ligand · 2 copies · chains A
  • RBF · Riboflavin · ligand · 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
11560.750.9227RBF
2690.360.7715empty

Modifications

Observed in the structure: 3 covalent (covalent ligand).

Compared structures

  • 5KC0 · Crystal structure of TmRibU, hexagonal crystal form · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X1G6 · AlphaFold monomer V2.0 prediction for riboflavin transporter ribu (Q9X1G6) · a predicted model of the same protein · chain A against A, TM-score 0.98

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