Structure of PDB 7ev3 Chain A Binding Site BS02

Receptor Information
>7ev3 Chain A (length=319) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGSRRIFSGVQPTSDSLHLGNALGAVAQWVGLQDDHDAFFCVVDLHAITI
PQDPEALRRRTLITAAQYLALGIDPGRATIFVQSQVPAHTQLAWVLGCFT
GFGQASRMTTTVGLFTYPVLQAADVLAYDTELVPVGEDQRQHLELARDVA
QRFNSRFPGTLVVPDVLIPKMTAKIYDLQDPTSKMSKSAGTDAGLINLLD
DPALSAKKIRSAVTDSERDIRYDPDVKPGVSNLLNIQSAVTGTDIDVLVD
GYAGHGYGDLKKDTAEAVVEFVNPIQARVDELTADPAELEAVLAAGAQRA
HDVASKTVQRVYDRLGFLL
Ligand information
Ligand IDJE3
InChIInChI=1S/C14H14FN3O2/c1-7(12-13(19)18-14(16-2)20-12)8-6-17-10-5-3-4-9(15)11(8)10/h3-7,12,17H,1-2H3,(H,16,18,19)/t7-,12+/m1/s1
InChIKeyRPLLAXTXYOESKS-KRTXAFLBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(c1c[nH]c2c1c(ccc2)F)C3C(=O)N=C(O3)NC
CACTVS 3.385CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(F)c23
CACTVS 3.385CNC1=NC(=O)[C@@H](O1)[C@H](C)c2c[nH]c3cccc(F)c23
OpenEye OEToolkits 2.0.7C[C@H](c1c[nH]c2c1c(ccc2)F)[C@H]3C(=O)N=C(O3)NC
FormulaC14 H14 F N3 O2
Name(5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
ChEMBLCHEMBL5197708
DrugBank
ZINC
PDB chain7ev3 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ev3 Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F11 G13 Q15 H50 Y134 Q138 Q156
Binding residue
(residue number reindexed from 1)		F7 G9 Q11 H46 Y117 Q121 Q139
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.2: tryptophan--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004830 tryptophan-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006436 tryptophanyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ev3, PDBe:7ev3, PDBj:7ev3
PDBsum7ev3
PubMed34908399
UniProtP9WFT3|SYW_MYCTU Tryptophan--tRNA ligase (Gene Name=trpS)

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