Structure of PDB 1kmn Chain B Binding Site BS01

Receptor Information
>1kmn Chain B (length=364) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNIQAIRGMNDYLPGETAIWQRIEGTLKNVLGSYGYSEIRLPIVEQTPLF
KRAIGEVTDVVEKEMYTFEDRNGDSLTLRPEGTAGCVRAGIEHGLLYNQE
QRLWYIGPMFRHERPQKGRYRQFHQLGCEVFGLQGPDIDAELIMLTARWW
RALGISEHVTLELNSIGYLDEESREHFAGLCKLLESAGIAYTVNQRLVRG
LDYYNRTVFEWVTNSLGSQGTVCAGGRYDGLVEQLGGRATPAVGFAMGLE
RLVLLVQAVNPEFKADPVVDIYLVASGADTQSAAMALAERLRDELPGVKL
MTNHGGGNFKKQFARADKWGARVAVVLGESEVANGTAVVKDLRSGEQTAV
AQDSVAAHLRTLLG
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 B Residue 451 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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 Q127 E131 Y263 Y264 G304 F305 A306
Binding residue
(residue number reindexed from 1)		E81 T83 Q125 E129 Y203 Y204 G244 F245 A246
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

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

[Back to BioLiP]