Structure of PDB 1kmn Chain A Binding Site BS01

Receptor Information
>1kmn Chain A (length=379) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIQAIRGMNDYLPGETAIWQRIEGTLKNVLGSYGYSEIRLPIVEQTPLFK
RAIGEVTDVVEKEMYTFEDRNGDSLTLRPEGTAGCVRAGIEHGLLYNQEQ
RLWYIGPMFRHERPQKGRYRQFHQLGCEVFGLQGPDIDAELIMLTARWWR
ALGISEHVTLELNSIGSLEARANYRDALVAFLYLDEESREHFAGLCKLLE
SAGIAYTVNQRLVRGLDYYNRTVFEWVTNSLGSQGTVCAGGRYDGLVEQL
GGRATPAVGFAMGLERLVLLVQAVNPEFKADPVVDIYLVASGADTQSAAM
ALAERLRDELPGVKLMTNHGGGNFKKQFARADKWGARVAVVLGESEVANG
TAVVKDLRSGEQTAVAQDSVAAHLRTLLG
Ligand information
Ligand IDHSO
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyZQISRDCJNBUVMM-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.385N[C@H](CO)Cc1c[nH]c[nH+]1
CACTVS 3.385N[CH](CO)Cc1c[nH]c[nH+]1
OpenEye OEToolkits 1.7.6c1c([nH+]c[nH]1)CC(CO)N
ACDLabs 12.01NC(CO)Cc1[nH+]cnc1
OpenEye OEToolkits 1.7.6c1c([nH+]c[nH]1)C[C@@H](CO)N
FormulaC6 H12 N3 O
NameL-histidinol
ChEMBL
DrugBankDB03811
ZINC
PDB chain1kmn Chain A Residue 451 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kmn The first step of aminoacylation at the atomic level in histidyl-tRNA synthetase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E83 T85 E131 Y263 Y264 Y288 G304 F305 A306
Binding residue
(residue number reindexed from 1)		E80 T82 E128 Y218 Y219 Y243 G259 F260 A261
Annotation score2
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
GO:0042803 protein homodimerization activity
Biological Process
GO:0006412 translation
GO:0006427 histidyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kmn, PDBe:1kmn, PDBj:1kmn
PDBsum1kmn
PubMed9207058
UniProtP60906|SYH_ECOLI Histidine--tRNA ligase (Gene Name=hisS)

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