Structure of PDB 6r07 Chain A Binding Site BS01

Receptor Information
>6r07 Chain A (length=357) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASMERFLSVYDEVQAFLLDQLQSKYEIDPNRARYLRIMMDTTCLGGKYFR
GMTVVNVAEGFLAVTQHDEATKERILHDACVGGWMIEFLQAHYLVEDDIM
DGSVMRRGKPCWYRFPGVTTQCAINDGIILKSWTQIMAWHYFADRPFLKD
LLCLFQKVDYATAVGQMYDVTSMCDSNKLDPEVAQPMTTDFAEFTPAIYK
RIVKYKTTFYTYLLPLVMGLLVSEAAASVEMNLVERVAHLIGEYFQVQDD
VMDCFTPPEQLGKVGTDIEDAKCSWLAVTFLGKANAAQVAEFKANYGEKD
PAKVAVVKRLYSKANLQADFAAYEAEVVREVESLIEQLKVKSPTFAESVA
VVWEKTH
Ligand information
Ligand ID3N2
InChIInChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)
InChIKeyQQKKTOPRRGBBCT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1Cl)c(cs2)CC(=O)O
CACTVS 3.370OC(=O)Cc1csc2ccc(Cl)cc12
ACDLabs 12.01O=C(O)Cc1c2cc(Cl)ccc2sc1
FormulaC10 H7 Cl O2 S
Name(5-chloro-1-benzothiophen-3-yl)acetic acid
ChEMBLCHEMBL1230159
DrugBank
ZINCZINC000000162019
PDB chain6r07 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6r07 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Resolution1.57 Å
Binding residue
(original residue number in PDB)		F210 E236 H240
Binding residue
(residue number reindexed from 1)		F209 E235 H239
Annotation score1
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
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6r07, PDBe:6r07, PDBj:6r07
PDBsum6r07
PubMed
UniProtQ8WS26

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