Structure of PDB 7vc5 Chain A Binding Site BS02

Receptor Information
>7vc5 Chain A (length=485) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMVTAKKDENFSEWYTQAIVRSEMIEYYDISGCYIMRPWAFHIWEKVQRF
FDDEIKKMGVENSYFPMFVSRHKLEKFSPEVAWVTHYGDSPLPEKIAIRP
TSETIMYPAYAKWIRSHRDLPLKLNQWCSVVRWEFKQPTPFLRTREFLWQ
EGHTAHATEEEAWELVLDILELYRRWYEECLAVPVIKGEKSEGEKFAGGK
KTTTVEAFIPENGRGIQAATSHLLGTNFAKMFEIEFEDEEGHKRLVHQTS
WGCTTRSLGVMIMTHGDDKGLVIPPRVASVQVVIIPILFKDENTGEILGK
CRELKTMLEKADIRVRIDDRSNYTPGWKYNHWEVKGVPLRLELGPKDLAK
GTARVVRRDTGEAYQISWADLAPKLLELMEGIQRSLFEKAKARLHEGIEK
ISTFDEVMPALNRKHLVLAPWCEDPESEEQIKKETQKLSEIQAIEAGGAM
KTLCIPFDQPPMPEGTKCFYTGKPAKRWTLWGRSY
Ligand information
Ligand ID9SF
InChIInChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m1/s1
InChIKeyFWVHWDSCPKXMDB-CABCVRRESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)O
CACTVS 3.385O[C@H]1CCCN[C@@H]1CC(=O)CN2C=Nc3ccccc3C2=O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O
CACTVS 3.385O[CH]1CCCN[CH]1CC(=O)CN2C=Nc3ccccc3C2=O
ACDLabs 12.01N=2c1ccccc1C(N(C=2)CC(=O)CC3NCCCC3O)=O
FormulaC16 H19 N3 O3
Name3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
ChEMBLCHEMBL322782
DrugBank
ZINCZINC000005641945
PDB chain7vc5 Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vc5 TgPRS with double inhibitors
Resolution1.612 Å
Binding residue
(original residue number in PDB)		F415 P438 T439 E441 R470 W487 F534 H560 W589
Binding residue
(residue number reindexed from 1)		F77 P100 T101 E103 R132 W149 F196 H222 W251
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.15: proline--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004827 proline-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006433 prolyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7vc5, PDBe:7vc5, PDBj:7vc5
PDBsum7vc5
PubMed
UniProtA0A7J6JUK2

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