Structure of PDB 3bju Chain B Binding Site BS01

Receptor Information
>3bju Chain B (length=495) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPNQYYKIRSQAIHQLKVNGEDPYPHKFHVDISLTDFIQKYSHLQPGDHL
TDITLKVAGRIHAKRASGGKLIFYDLRGEGVKLQVMANSRNYKSEEEFIH
INNKLRRGDIIGVQGNPGKTKKGELSIIPYEITLLSPCLHMLPKETRYRQ
RYLDLILNDFVRQKFIIRSKIITYIRSFLDELGFLEIETPMMNIIPGGAV
AKPFITYHNELDMNLYMRIAPELYHKMLVVGGIDRVYEIGRQFRNEGIDL
THNPEFTTCEFYMAYADYHDLMEITEKMVSGMVKHITGSYKVTYHPDGPE
GQAYDVDFTPPFRRINMVEELEKALGMKLPETNLFETEETRKILDDICVA
KAVECPPPRTTARLLDKLVGEFLEVTCINPTFICDHPQIMSPLAKWHRSK
EGLTERFELFVMKKEICNAYTELNDPMRQRQLFEEQAKAKAAGDDEAMFI
DENFCTALEYGLPPTAGWGMGIDRVAMFLTDSNNIKEVLLFPAMK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3bju Chain B Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bju Crystal structure of tetrameric form of human lysyl-tRNA synthetase: Implications for multisynthetase complex formation
Resolution2.31 Å
Binding residue
(original residue number in PDB)		E487 E494 N497
Binding residue
(residue number reindexed from 1)		E408 E415 N418
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R323 E325 T330 H331 E494 N497 R553
Catalytic site (residue number reindexed from 1) R244 E246 T251 H252 E415 N418 R474
Enzyme Commision number 2.7.7.-
6.1.1.6: lysine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004824 lysine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006418 tRNA aminoacylation for protein translation
GO:0006430 lysyl-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:3bju, PDBe:3bju, PDBj:3bju
PDBsum3bju
PubMed18272479
UniProtQ15046|SYK_HUMAN Lysine--tRNA ligase (Gene Name=KARS1)

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