Structure of PDB 8is7 Chain A Binding Site BS02

Receptor Information

>8is7 Chain A (length=275) Species: 1570 (Halobacillus halophilus)

MDLNNAYDHCKNIIEKHSKTFSKAFAMLPKHQKRAVWAIYAFCRRADDIV
DEGENPKEELEAFAVEFDLFMEGRLETEDPCWIALQDAFERFPLDPAPFY
EMIVGQRMDLYPKTIDTKDDLLHYCYHVASTVGLMLLPVLAPGKVSRVKT
GAIELGYAMQITNILRDIGEDLDNHRIYIPKQMMIEYGYTRTDLHNKKVN
EAFIQLWEDLAQDAEHYYRNALATLPEYPVYSRTPVGGAAKMYRAIIQTV
RNNDYQVFGNYVSDQMKKQIIAEMQ

Ligand information

• Ligand ID: FPS
• InChI: InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
• InChIKey: MYMLCRQRXFRQGP-YFVJMOTDSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)CC\C=C(/C)C)C
  OpenEye OEToolkits 1.7.5: CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C
  CACTVS 3.385: CC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
  CACTVS 3.385: CC(C)=CCC/C(C)=C/CCC(/C)=C/CS[P](O)(=O)O[P](O)(O)=O
  OpenEye OEToolkits 1.7.5: CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C
• Formula: C15 H28 O6 P2 S
• Name: S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE;
  FARNESYL THIOPYROPHOSPHATE
• DrugBank: DB04695
• ZINC: ZINC000012504468
• PDB chain: 8is7 Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8is7 CrtMLIKE with two FsPP molecules.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): F22 R45 V133 G134 L156 M160 N164
• Binding residue (residue number reindexed from 1): F21 R44 V132 G133 L155 M159 N163
• 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:8is7, PDBe:8is7, PDBj:8is7
• PDBsum: 8is7
• UniProt: B9UXM0