Structure of PDB 7f9r Chain A Binding Site BS03

Receptor Information
>7f9r Chain A (length=486) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMVTAKKDENFSEWYTQAIVRSEMIEYYDISGCYIMRPWAFHIWEKVQRF
FDDEIKKMGVENSYFPMFVSRHKLEKEVAWVTHYGDSPLPEKIAIRPTSE
TIMYPAYAKWIRSHRDLPLKLNQWCSVVRWEFKQPTPFLRTREFLWQEGH
TAHATEEEAWELVLDILELYRRWYEECLAVPVIKGEKSEGEKFAGGKKTT
TVEAFIPENGRGIQAATSHLLGTNFAKMFEIEFEDEEGHKRLVHQTSWGC
TTRSLGVMIMTHGDDKGLVIPPRVASVQVVIIPILFKDENTGEILGKCRE
LKTMLEKADIRVRIDDRSNYTPGWKYNHWEVKGVPLRLELGPKDLAKGTA
RVVRRDTGEAYQISWADLAPKLLELMEGIQRSLFEKAKARLHEGIEKIST
FDEVMPALNRKHLVLAPWCEDPESEEQIKKETQKLSEIQAIEAGDVMTGA
MKTLCIPFDQPPMPEGTKCFYTGKPAKRWTLWGRSY
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain7f9r Chain A Residue 912 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7f9r TgPRS with double inhibitors
Resolution1.83 Å
Binding residue
(original residue number in PDB)		T439 E441 W487 E489 H560 W589 G590
Binding residue
(residue number reindexed from 1)		T98 E100 W146 E148 H219 W248 G249
Annotation score5
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7f9r, PDBe:7f9r, PDBj:7f9r
PDBsum7f9r
PubMed
UniProtA0A7J6JUK2

[Back to BioLiP]