Structure of PDB 6r05 Chain A Binding Site BS02

Receptor Information

>6r05 Chain A (length=357) Species: 5693 (Trypanosoma cruzi)

ASMERFLSVYDEVQAFLLDQLQSKYEIDPNRARYLRIMMDTTCLGGKYFR
GMTVVNVAEGFLAVTQHDEATKERILHDACVGGWMIEFLQAHYLVEDDIM
DGSVMRRGKPCWYRFPGVTTQCAINDGIILKSWTQIMAWHYFADRPFLKD
LLCLFQKVDYATAVGQMYDVTSMCDSNKLDPEVAQPMTTDFAEFTPAIYK
RIVKYKTTFYTYLLPLVMGLLVSEAAASVEMNLVERVAHLIGEYFQVQDD
VMDCFTPPEQLGKVGTDIEDAKCSWLAVTFLGKANAAQVAEFKANYGEKD
PAKVAVVKRLYSKANLQADFAAYEAEVVREVESLIEQLKVKSPTFAESVA
VVWEKTH

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6r05 Chain A Residue 506

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6r05 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
• Resolution: 1.57 Å
• Binding residue (original residue number in PDB): D98 D102
• Binding residue (residue number reindexed from 1): D97 D101
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): K48 H93 D98 D102 R107 D170 K207 F246 D250 D251
• Catalytic site (residue number reindexed from 1): K47 H92 D97 D101 R106 D169 K206 F245 D249 D250

Gene Ontology

Molecular Function

• GO:0004659 prenyltransferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

Biological Process

• GO:0008299 isoprenoid biosynthetic process

External links

• PDB: RCSB:6r05, PDBe:6r05, PDBj:6r05
• PDBsum: 6r05
• UniProt: Q8WS26