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Thalictrum flavumn norcoclaurine synthase point mutant in complex with a transition state analoge

Analyse Thalictrum flavumn norcoclaurine synthase point mutant in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Z82
Type
protein
Length
159 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
S-norcoclaurine synthase
EC
4.2.1.78
UniProt
Q67A25
Ligands
QBW
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AS-norcoclaurine synthase (EC 4.2.1.78)protein15925% helix, 42% strandQ67A25

Ligands and binding sites

  • QBW · 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12110.700.8633QBW

Compared structures

  • 6Z82 · Thalictrum flavumn Norcoclaurine synthase point mutant in complex with a transition state… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q67A25 · AlphaFold monomer V2.0 prediction for S-norcoclaurine synthase (Q67A25) · a predicted model of the same protein · chain A against A, TM-score 0.98

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