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Table 7 Predicted ligand binding site of CAS and β-AS using Q-SiteFinder

From: Homology modeling and docking studies on oxidosqualene cyclases associated with primary and secondary metabolism of Centella asiatica

Cycloartenol synthase

β-amyrin synthase

Residues

Residue number

Residues

Residue number

TYR

118

PRO

124

PRO

121

PHE

127

LEU

124

TRP

258

TRP

255

CYS

259

CYS

256

TYR

260

HIS

257

ILE

368

CYS

258

GLY

369

ILE

365

CYS

370

GLY

366

VAL

771

PRO

367

GLN

411

VAL

368

SER

412

GLY

409

TRP

418

TYR

410

PHE

474

TRP

479

VAL

483

ILE

481

ASP

485

THR

531

CYS

486

TYR

532

ILE

534

GLU

533

TRP

535

PHE

550

CYS

565

ILE

553

TRP

613

ASP

556

TYR

619

TYR

559

*VAL

*728

SER

609

TYR

729

TRP

610

LEU

735

VAL

725

TYR

737

PHE

726

TYR

740

ASN

727

  

*LYS

*728

  

CYS

730

  

ILE

732

  
  1. *Amino acid residue changes between two enzymes at ketoconazole binding site of cycloartenol synthase (LYS 728).