Structure of PDB 5hc8 Chain A Binding Site BS01

Receptor Information

>5hc8 Chain A (length=236) Species: 39330 (Lavandula lanata)

DEVTPNHVAIIIDGHRKWAKSRGVTVQEGHQTGVNNWKHIISRASQLGIK
LLTIWALSPQNFNRSKMEVDFLMRIYEDFLRSDVKELVTSQQDIQFSAIG
DKSRLPEYLQDAISYAEGLSQANKGMHFILAVAYGGREDIVEAARKIAAK
VEHGILRPDDIDEATFEQHLMTNITKFPSPDLLIRAAGEQRLSNFFLWQL
PFTEFYFTPKLFPDFGEADLLDALASYRCRYRGFGE

Ligand information

• Ligand ID: PIS
• InChI: InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1
• InChIKey: HWTUHTNZLQJJEV-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: OP(=O)(O)O[P@](=O)(O)[S-]
  OpenEye OEToolkits 1.5.0: OP(=O)(O)OP(=O)(O)[S-]
  CACTVS 3.341: O[P](O)(=O)O[P@](O)([S-])=O
  CACTVS 3.341: O[P](O)(=O)O[P](O)([S-])=O
  ACDLabs 10.04: [S-]P(=O)(O)OP(=O)(O)O
• Formula: H3 O6 P2 S
• Name: TRIHYDROGEN THIODIPHOSPHATE;
  THIOPYROPHOSPHATE
• DrugBank: DB02423
• PDB chain: 5hc8 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hc8 Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase
• Resolution: 1.87 Å
• Binding residue (original residue number in PDB): D76 G77 H78 R79 K80 R127
• Binding residue (residue number reindexed from 1): D13 G14 H15 R16 K17 R64
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): D76 H93 M189
• Catalytic site (residue number reindexed from 1): D13 H30 M126
• Enzyme Commision number: 2.5.1.-

Gene Ontology

Molecular Function

• GO:0002094 polyprenyltransferase activity
• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0045547 dehydrodolichyl diphosphate synthase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009409 response to cold
• GO:0009668 plastid membrane organization
• GO:0016094 polyprenol biosynthetic process

Cellular Component

• GO:0009570 chloroplast stroma

External links

• PDB: RCSB:5hc8, PDBe:5hc8, PDBj:5hc8
• PDBsum: 5hc8
• PubMed: 26922900
• UniProt: A0A140UHQ1