Structure of PDB 4rdx Chain A Binding Site BS03

Receptor Information
>4rdx Chain A (length=409) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TARAVRGTKDLFGKELRMHQRIVATARKVLEAAGALELVTPIFEETQVFE
KEMFTFQDRGGRSLTLRPEGTAAMVRAYLEHGMKVWPQPVRLWMAGPMFR
AERPQKGRYRQFHQVNYEALGSENPILDAEAVVLLYECLKELGLRRLKVK
LSSVGDPEDRARYNAYLREVLSPHREALSEDSKERLELNPMRILDSKSER
DQALLKELGVRPMLDFLGEEARAHLKEVERHLERLSVPYELEPALVRGLD
YYVRTAFEVHHEEIGAQSALGGGGRYDGLSELLGGPRVPGVGFAFGVERV
ALALEAEGFGLPEEKGPDLYLIPLTEEAVAEAFYLAEALRPRLRAEYALA
PRKPAKGLEEALKRGAAFAGFLGEDELRAGEVTLKRLATGEQVRLSREEV
PGYLLQALG
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 chain4rdx Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rdx Structural basis for recognition of G-1-containing tRNA by histidyl-tRNA synthetase
Resolution2.55 Å
Binding residue
(original residue number in PDB)		T83 E130 Y264 G285 G304 F305
Binding residue
(residue number reindexed from 1)		T71 E118 Y252 G273 G292 F293
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:4rdx, PDBe:4rdx, PDBj:4rdx
PDBsum4rdx
PubMed25722375
UniProtP62374|SYH_THET2 Histidine--tRNA ligase (Gene Name=hisS)

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