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MolNFT v1 · #13046 · protein

Riboflavin synthase from S.POMBE bound to carboxyethyllumazine

1KZL: “Riboflavin synthase from S.POMBE bound to carboxyethyllumazine”. X-ray diffraction, 2 ligands (CRM, HG), 2 pockets (best druggability 0.35). MolNFT v1 #13046 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1KZL
Type
protein
Length
202 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Riboflavin synthase
EC
2.5.1.9
UniProt
Q9Y7P0
Ligands
CRM, HG
Pockets
2 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARiboflavin synthase (EC 2.5.1.9)protein20219% helix, 43% strandQ9Y7P0

Ligands and binding sites

  • CRM · 3-[8-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acid · ligand · 2 copies · chains A
  • HG · Mercury (II) ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1670.350.7712empty
2510.280.7514CRM

Compared structures

  • 1KZL · Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y7P0 · AlphaFold monomer V2.0 prediction for riboflavin synthase (Q9Y7P0) · a predicted model of the same protein · chain A against A, TM-score 0.98

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