Structure of PDB 6a2c Chain A Binding Site BS02

Receptor Information

>6a2c Chain A (length=518) Species: 35974 (Santalum album)

NYPPNLWDYEFLQSLGDEKHLKLADKLKEEVKSLIKQTMEPLTKLEFIDT
VRRLGLKYQFETEVKEAVVMVSKYENDAWWIDNLHATSLRFRIMRENGIF
VPQDVFERFKDTDGFKNQLCEDVKGLLSLYEASFLGWEGEDILDEARTFA
TSKLKSIEGKIPSPSLAKKVSHALDLPLHWRTIRYEARWFIDTYEEEEDV
NLTLLRYAKLDFNIVQSFHQKEIGRLSRWWVGTGLDKMPFARNGLIQSYM
YAIGMLFEPNLGEVREMEAKVGALITTIDDVYDVYGTMEELELFTDITNR
WDISKADQLPRNIRMPLLTMFNTSNDIGYWALKERGFNGIPCTAKVWSDQ
LKSYTKEAKWFHEGHKPTLEEYLDNALVSIGFPNLLVTSYLLTVENPTKE
KLDYVNSLPLFVRASCILCRIINDLGTSPDEDNLKSIQCYMNEAGASQEV
AREHIEGLVRMWWKRLNKCLFEPSPFAEPFLSFTVNVVRGSHFFYQYAES
WTKKQGMSVLIHPIPLNE

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6a2c Chain A Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6a2c Crystal structure of a synthase 2 from santalum album in complex with lig2
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): D316 D320
• Binding residue (residue number reindexed from 1): D279 D283
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R279 Y288 G309 D316 D320 S416 I417 G418 R457 N460 T464 E468 Y536
• Catalytic site (residue number reindexed from 1): R242 Y251 G272 D279 D283 S379 I380 G381 R420 N423 T427 E431 Y495

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0010333 terpene synthase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016102 diterpenoid biosynthetic process

External links

• PDB: RCSB:6a2c, PDBe:6a2c, PDBj:6a2c
• PDBsum: 6a2c
• UniProt: A0A0A0RCB5