Structure of PDB 7ka0 Chain A Binding Site BS02

Receptor Information
>7ka0 Chain A (length=339) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLSPEALTTAVDAAQQAIALADTLDVLARVKTEHLGDRSPLALARQALAV
LPKEQRAEAGKRVNAARNAAQRSYDERLATLRAERDAAVLVAEGIDVTLP
STRVPAGARHPIIMLAEHVADTFIAMGWELAEGPEVETEQFNFDALNFPA
DHPARGEQDTFYIAPEDSRQLLRTHTSPVQIRTLLARELPVYIISIGRTF
RTDELDATHTPIFHQVEGLAVDRGLSMAHLRGTLDAFARAEFGPSARTRI
RPHFFPFTEPSAEVDVWFANKGAAWVEWGGCGMVHPNVLRATGIDPDLYS
GFAFGMGLERTLQFRNGIPDMRDMVEGDVRFSLPFGVGA
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain7ka0 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ka0 Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H175 E217 F255 F257 G282 C283 A305 F306 G307
Binding residue
(residue number reindexed from 1)		H175 E217 F255 F257 G280 C281 A303 F304 G305
Annotation score5
Enzymatic activity
Enzyme Commision number 6.1.1.20: phenylalanine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0000287 magnesium ion 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
GO:0043039 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:7ka0, PDBe:7ka0, PDBj:7ka0
PDBsum7ka0
PubMed33885823
UniProtP9WFU3|SYFA_MYCTU Phenylalanine--tRNA ligase alpha subunit (Gene Name=pheS)

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