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MolNFT v1 · #29029 · protein

Structure of ytnj from bacillus subtilis in complex with FMN

1YW1 · Protein ytnj: “Structure of ytnj from bacillus subtilis in complex with FMN”. X-ray diffraction, 2 ligands (FMN, GLC), 4 pockets (best druggability 0.65). MolNFT v1 #29029 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1YW1
Type
protein
Length
393 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein ytnj
UniProt
O34974
Ligands
FMN, GLC
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein ytnjprotein39341% helix, 14% strandO34974

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · chains A
  • GLC · alpha-D-glucopyranose · sugar · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16080.650.7660GLC, FMN
21030.390.7622empty
3600.310.7513empty
4560.270.7410empty

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 1YW1 · Structure Of Ytnj From Bacillus Subtilis in complex with FMN · the same entry in another collection · chain A against A, TM-score 1.00
  • O34974 · AlphaFold monomer V2.0 prediction for putative monooxygenase moxc (O34974) · a predicted model of the same protein · chain A against A, TM-score 0.99

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