Structure of PDB 7f97 Chain B Binding Site BS01

Receptor Information
>7f97 Chain B (length=481) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAITSKKIENFSDWYTQVIVKSELIEYYDISGCYILRPAAYYIWECVQAF
FNKEIKKLNVENSYFPLFVTKNKLESPEVAWVTKYGDSNLPEEIAIRPTS
ETIMYSVFPKWIRSYRDLPLKLNQWNTVVRWEFKQPTPFIRTREFLWQEG
HTAHKNEEEAVKLVFDILDLYRRWYEEYLAVPIIKGIKSEGEKFGGANFT
STAEAFISENGRAIQAATSHYLGTNFAKMFKIEFEDENEVKQYVHQTSWG
CTTRSIGIMIMTHGDDKGLVLPPNVSKYKVVIVPIFYKTTDENAIHSYCK
DIEKILKNAQINCVYDDRASYSPGYKFNHWELRGIPIRIEVGPKDLQNNS
CVIVRRDNNEKCNVKKESVLLETQQMLVDIHKNLFLKAKKKLDDSIVQVT
SFSEVMNALNKKKMVLAPWCEDIATEEEIKKETQRLSLNQTLSGAMKPLC
IPLDQPPMPPNMKCFWSGKPAKRWCLFGRSY
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 chain7f97 Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f97 Plasmodium falciparum Prolyl-tRNA Synthetase (PfPRS) in Complex with L-proline and compound L97
Resolution2.394 Å
Binding residue
(original residue number in PDB)		T359 E361 W407 E409 H480 W509 G510
Binding residue
(residue number reindexed from 1)		T99 E101 W147 E149 H220 W249 G250
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7f97, PDBe:7f97, PDBj:7f97
PDBsum7f97
PubMed
UniProtQ8I5R7|SYP_PLAF7 Proline--tRNA ligase (Gene Name=proRS)

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