Structure of PDB 6a2d Chain A Binding Site BS03

Receptor Information

>6a2d Chain A (length=519) Species: 35974 (Santalum album)

NYPPNLWDYEFLQSLGDVEEKHLKLADKLKEEVKSLIKQTMEPLTKLEFI
DTVRRLGLKYQFETEVKEAVVMVSKYENDAWWIDNLHATSLRFRIMRENG
IFVPQDVFERFKDTDGFKNQLCEDVKGLLSLYEASFLGWEGEDILDEART
FATSKLKSIEGKIPSPSLAKKVSHALDLPLHWRTIRYEARWFIDTYEEEE
DVNLTLLRYAKLDFNIVQSFHQKEIGRLSRWWVGTGLDKMPFARNGLIQS
YMYAIGMLFEPNLGEVREMEAKVGALITTIDDVYDVYGTMEELELFTDIT
NRWDISKADQLPRNIRMPLLTMFNTSNDIGYWALKERGFNGIPCTAKVWS
DQLKSYTKEAKWFHEGHKPTLEEYLDNALVSIGFPNLLVTSYLLTVENPT
KEKLDYVNSLPLFVRASCILCRIINDLGTSPDDNLKSIQCYMNEAGASQE
VAREHIEGLVRMWWKRLNKCLFEPSPFAEPFLSFTVNVVRGSHFFYQYAE
SWTKKQGMSVLIHPIPLNE

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: 6a2d Chain A Residue 902

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6a2d Crystal structure of a synthase 2 from santalum album
• Resolution: 1.96 Å
• Binding residue (original residue number in PDB): D316 D320
• Binding residue (residue number reindexed from 1): D281 D285
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R279 Y288 G309 D316 D320 S416 I417 G418 R457 N460 T464 Y536
• Catalytic site (residue number reindexed from 1): R244 Y253 G274 D281 D285 S381 I382 G383 R422 N425 T429 Y496

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:6a2d, PDBe:6a2d, PDBj:6a2d
• PDBsum: 6a2d
• UniProt: A0A0A0RCB5