Structure of PDB 6a1d Chain A Binding Site BS03

Receptor Information

>6a1d Chain A (length=516) Species: 35974 (Santalum album)

ANLWDYDFLQSLGRHSSVTEEHVGLAEKLKGEVKSLITGPMEPLAKLEFI
DSVRRLGLKYQFETEMKEALANISKDGYDSWWVDNLRATALRFRLLRENG
IFVPQDVFERFQNKETGKFKNELCEDVKGLLNLYEASFLGWEGEDILDEA
RTFSTAQLKNVEGKISSPNLAKIVHHALDLPLHWRAIRYEARWFIDIYED
EEDMNPTLLKYAKLDFNIVQSFHQAEIGRLARWWVGTGLDKLPFARNGLI
QSYMYAIGMLFEPHLGEVREMEAKVGALITTIDDVYDVYGTMEELELFTD
ITERWDINRVDQLPRNIRMPLLTMFNTSNDIGYWALKERGFNGIPYTAKV
WADQLKSYTKEAKWFHEGHKPTLEEYLENALVSIGFPNLLVTSYLLTVDN
PTKEKLDYVDSLPLFVRASCILCRIINDLGTLKSIQCYMNETGASQEVAR
EHIEGLVRMWWKRLNKCLFEPSPFTEPFLSFTINVVRGSHFFYQYNAESW
TKNQGMSVLIHPITLD

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: 6a1d Chain A Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6a1d Crystal structure of a synthase 1 from Santalum album in complex with ligand
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): D316 D320
• Binding residue (residue number reindexed from 1): D283 D287
• 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): R246 Y255 G276 D283 D287 S383 I384 G385 R424 N427 T431 Y493

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:6a1d, PDBe:6a1d, PDBj:6a1d
• PDBsum: 6a1d
• UniProt: A0A0A0RDR2