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MolNFT v1 · #9825 · protein

Crystal structure of riboflavin synthase

1I8D: “Crystal structure of riboflavin synthase”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #9825 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1I8D
Type
protein
Length
592 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Riboflavin synthase
EC
2.5.1.9
UniProt
P29015
Pockets
7 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARiboflavin synthase (EC 2.5.1.9)protein20623% helix, 42% strandP29015
BRiboflavin synthase (EC 2.5.1.9)protein20122% helix, 41% strandP29015
CRiboflavin synthase (EC 2.5.1.9)protein18522% helix, 41% strandP29015

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15490.780.8564empty
26180.720.7971empty
3880.350.7416empty
4680.330.7612empty
5750.320.7412empty

Interfaces

3 interfaces between chains.

  • A–C · 1605 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 765 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 477 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 1I8D · Crystal structure of riboflavin synthase · the same entry in another collection · chain A against A, TM-score 1.00

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