Structure of PDB 7db8 Chain B Binding Site BS07

Receptor Information
>7db8 Chain B (length=835) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLPYSWLREVVAVGASGWDVTPGELEQTLLRIGHEVEEVIPLGPVDGPV
TVGRVADIEELTGYKKPIRACAVDIGDRQYREIICGATNFAVGDLVVVAL
PGATLPGGFTISARKAYGRNSDGMICSAAELNLGADHSGILVLPPGAAEP
GADGAGVLGLDDVVFHLAITPDRGYCMSVRGLARELACAYDLDFVDPASN
SRVPPLPIEGPAWPLTVQPETGVRRFALRPVIGIDPAAVSPWWLQRRLLL
CGIRATCPAVDVTNYVMLELGHPMHAHDRNRISGTLGVRFARSGETAVTL
DGIERKLDTADVLIVDDAATAAIGGVMGAASTEVRADSTDVLLEAAIWDP
AAVSRTQRRLHLPSEAARRYERTVDPAISVAALDRCARLLADIAGGEVSP
TLTDWRGDPPCDDWSPPPIRMGVDVPDRIAGVAYPQGTTARRLAQIGAVV
THDGDTLTVTPPSWRPDLRQPADLVEEVLRLEGLEVIPSVLPPAPAGRGL
TAGQQRRRTIGRSLALSGYVEILPTPFLPAGVFDLWGLEADDSRRMTTRV
LNPLEADRPQLATTLLPALLEALVRNVSRGLVDVALFAIAQVVQPTEQTR
GVGLIPVDRRPTDDEIAMLDASLPRQPQHVAAVLAGLREPRGPWGPGRPV
EAADAFEAVRIIARASRVDVTLRPAQYLPWHPGRCAQVFVGESSVGHAGQ
LHPAVIERSGLPKGTCAVELNLDAIPCSAPLPAPRVSPYPAVFQDVSLVV
AADIPAQAVADAVRAGAGDLLEDIALFDVFTGPQIGEHRKSLTFALRFRA
PDRTLTEDDASAARDAAVQSAAERVGAVLRGWKLA
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain7db8 Chain B Residue 909 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7db8 Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H275 G325 M327 E344 W348
Binding residue
(residue number reindexed from 1)		H275 G325 M327 E344 W348
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.20: phenylalanine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004826 phenylalanine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006432 phenylalanyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall
GO:0009328 phenylalanine-tRNA ligase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7db8, PDBe:7db8, PDBj:7db8
PDBsum7db8
PubMed33397709
UniProtP9WFU1|SYFB_MYCTU Phenylalanine--tRNA ligase beta subunit (Gene Name=pheT)

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