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Receptor Information

>6chd Chain B (length=502) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SVDPNQYYKIRSQAIHQLKVNGEDPYPHKFHVDISLTDFIQKYSHLQPGD
HLTDITLKVAGRIHAKRASGGKLIFYDLRGEGVKLQVMANSRNYKSEEEF
IHINNKLRRGDIIGVQGNPGKTKKGELSIIPYEITLLSPCLHMLPLKDKE
TRYRQRYLDLILNDFVRQKFIIRSKIITYIRSFLDELGFLEIETPMMNII
PGGAVAKPFITYHNELDMNLYMRIAPELYHKMLVVGGIDRVYEIGRQFRN
EGIDLTHNPEFTTCEFYMAYADYHDLMEITEKMVSGMVKHITGSYKVTYH
PDGPEGQAYDVDFTPPFRRINMVEELEKALGMKLPETNLFETEETRKILD
DICVAKAVECPPPRTTARLLDKLVGEFLEVTCINPTFICDHPQIMSPLAK
WHRSKEGLTERFELFVMKKEICNAYTELNDPMRQRQLFEEQAKAKAAGDD
EAMFIDENFCTALEYGLPPTAGWGMGIDRVAMFLTDSNNIKEVLLFPAMK
PE

Ligand ID

KAA

InChI

InChI=1S/C16H26N8O7S/c17-4-2-1-3-8(18)15(27)23-32(28,29)30-5-9-11(25)12(26)16(31-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,16,25-26H,1-5,17-18H2,(H,23,27)(H2,19,20,21)/t8-,9+,11+,12+,16+/m0/s1

InChIKey

NARKTLKJPPMFJF-LEJQEAHTSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N
CACTVS 3.341	NCCCC[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.341	NCCCC[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04	O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCCCN
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCCCN)N)O)O)N

Formula

C16 H26 N8 O7 S

Name

5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE;
5'-O-[N-(L-LYSYL)SULFAMOYL]ADENOSINE

PDB chain

6chd Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6chd Crystal Structure of Human Lysyl-tRNA Synthetase complexed with L-Lysylsulfamoyl Adenosine
Resolution	2.5 Å
Binding residue (original residue number in PDB)	G277 A299 E301 R323 H331 N332 F335 E339 Y341 E494 N497 Y499 E501 G546 W547 G548 G550 R553
Binding residue (residue number reindexed from 1)	G203 A225 E227 R249 H257 N258 F261 E265 Y267 E420 N423 Y425 E427 G472 W473 G474 G476 R479
Annotation score	2

Enzyme Commision number

2.7.7.-
6.1.1.6: lysine--tRNA ligase.

	Molecular Function
GO:0000049	tRNA binding
GO:0000166	nucleotide binding
GO:0003676	nucleic acid binding
GO:0003877	ATP:ADP adenylyltransferase activity
GO:0004812	aminoacyl-tRNA ligase activity
GO:0004824	lysine-tRNA ligase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0016597	amino acid binding
GO:0016740	transferase activity
GO:0042802	identical protein binding
GO:0042803	protein homodimerization activity

	Biological Process
GO:0002276	basophil activation involved in immune response
GO:0002863	positive regulation of inflammatory response to antigenic stimulus
GO:0006412	translation
GO:0006418	tRNA aminoacylation for protein translation
GO:0006430	lysyl-tRNA aminoacylation
GO:0008033	tRNA processing
GO:0010165	response to X-ray
GO:0015966	diadenosine tetraphosphate biosynthetic process
GO:0043032	positive regulation of macrophage activation
GO:0045893	positive regulation of DNA-templated transcription
GO:0070371	ERK1 and ERK2 cascade

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005759	mitochondrial matrix
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0017101	aminoacyl-tRNA synthetase multienzyme complex

PDB	RCSB:6chd, PDBe:6chd, PDBj:6chd
PDBsum	6chd
PubMed
UniProt	Q15046\|SYK_HUMAN Lysine--tRNA ligase (Gene Name=KARS1)

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Structure of PDB 6chd Chain B Binding Site BS01