Structure of PDB 1adj Chain B Binding Site BS01

Receptor Information
>1adj Chain B (length=420) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TARAVRGTKDLFGKELRMHQRIVATARKVLEAAGALELVTPIFEETQVFE
KGVGAATDIVRKEMFTFQDRGGRSLTLRPEGTAAMVRAYLEHGMKVWPQP
VRLWMAGPMFRAERPQKGRYRQFHQVNYEALGSENPILDAEAVVLLYECL
KELGLRRLKVKLSSVGDPEDRARYNAYLREVLSPHREALSEDSKERLEEN
PMRILDSKSERDQALLKELGVRPMLDFLGEEARAHLKEVERHLERLSVPY
ELEPALVRGLDYYVRTAFEVHHEEIGAQSALGGGGRYDGLSELLGGPRVP
GVGFAFGVERVALALEAEGFGLPEEKGPDLYLIPLTEEAVAEAFYLAEAL
RPRLRAEYALAPRKPAKGLEEALKRGAAFAGFLGEDELRAGEVTLKRLAT
GEQVRLSREEVPGYLLQALG
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 chain1adj Chain B Residue 423 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1adj Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E81 T83 E130 Y263 Y264 G304 F305
Binding residue
(residue number reindexed from 1)		E80 T82 E129 Y262 Y263 G303 F304
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:1adj, PDBe:1adj, PDBj:1adj
PDBsum1adj
PubMed9115984
UniProtP56194|SYH_THET8 Histidine--tRNA ligase (Gene Name=hisS)

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