Structure of PDB 4e51 Chain A Binding Site BS01

Receptor Information
>4e51 Chain A (length=415) Species: 271848 (Burkholderia thailandensis E264) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKLTGVKGMNDILPQDAGLWEFFEATVKSLLRAYGYQNIRTPIVEHTPLF
TRGIGEVTDIVEKEMYSFVDALNGENLTLRPENTAAVVRAAIEHNMLYDG
PKRLWYIGPMFRHERPRYRQFHQVGVEALGFAGPDADAEIVMMCQRLWED
LGLTGIKLEINSLGLAEERAAHRVELIKYLEQHADKLDDDAQRRLYTNPL
RVLDTKNPALQEIVRNAPKLIDFLGDVSRAHFEGLQRLLKANNVPFTINP
RLVRGLDYYNLTVFEWVTDKGTVAAGGRYDPLIEQLGGKPTAACGWAMGI
ERILELLKEEHLVPEQEGVDVYVVHQGDAAREQAFIVAERLRDTGLDVIL
HCSADGAGASFKSQMKRADASGAAFAVIFGEDEVTNGTASVKPLSVQQSV
PVESLTEFLINAMVA
Ligand information
Ligand IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain4e51 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e51 Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		E90 T92 Q134 E138 Y269 Y270 Y294 G310 W311
Binding residue
(residue number reindexed from 1)		E82 T84 Q123 E127 Y258 Y259 Y279 G295 W296
Annotation score5
Enzymatic activity
Enzyme Commision number 6.1.1.21: histidine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004821 histidine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006427 histidyl-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:4e51, PDBe:4e51, PDBj:4e51
PDBsum4e51
PubMed28303005
UniProtQ2SWE3|SYH_BURTA Histidine--tRNA ligase (Gene Name=hisS)

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