Structure of PDB 8is8 Chain A Binding Site BS01

Receptor Information

>8is8 Chain A (length=274) Species: 1570 (Halobacillus halophilus)

DLNNAYDHCKNIIEKHSKTFSKAFAMLPKHQKRAVWAIYAFCRRADDIVD
EGENPKEELEAFAVEFDLFMEGRLETEDPCWIALQDAFERFPLDPAPFYE
MIVGQRMDLYPKTIDTKDDLLHYCYHVASTVGLMLLPVLAPGKVSRVKTG
AIELGYAMQITNILRDIGEDLDNHRIYIPKQMMIEYGYTRTDLHNKKVNE
AFIQLWEDLAQDAEHYYRNALATLPEYPVYSRTPVGGAAKMYRAIIQTVR
NNDYQVFGNYVSDQMKKQIIAEMQ

Ligand information

• Ligand ID: GST
• InChI: InChI=1S/C10H20O6P2S/c1-9(2)5-4-6-10(3)7-8-19-18(14,15)16-17(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
• InChIKey: AKIXWSDUEPPMKM-JXMROGBWSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C
  CACTVS 3.341: CC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C
  CACTVS 3.341: CC(C)=CCCC(/C)=C/CS[P@@](O)(=O)O[P](O)(O)=O
  ACDLabs 10.04: O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)C)C
• Formula: C10 H20 O6 P2 S
• Name: GERANYL S-THIOLODIPHOSPHATE;
  S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGEN THIODIPHOSPHATE
• DrugBank: DB04702
• PDB chain: 8is8 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8is8 CrtMLIKE with two GsPP molecules
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): Y41 C44 R45 D48 V133 N164
• Binding residue (residue number reindexed from 1): Y39 C42 R43 D46 V131 N162
• Annotation score: 2

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016740 transferase activity
• GO:0016767 geranylgeranyl-diphosphate geranylgeranyltransferase activity

Biological Process

• GO:0016117 carotenoid biosynthetic process

External links

• PDB: RCSB:8is8, PDBe:8is8, PDBj:8is8
• PDBsum: 8is8
• UniProt: B9UXM0