BioLiP

Receptor Information

>3a5z Chain A (length=323) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ETASWQPSASIPNLLKRAAIMAEIRRFFADRGVLEVETPCMSQATVTDIH
LVPFETRFVGPGHSQGMNLWLMTSPEYHMKRLLVAGCGPVFQLCRSFRNE
EMGRYHNPEFTMLEWYRPHYDMYRLMNEVDDLLQQVLDCPAAESLSYQQA
FLRYLEIDPLSADKTQLREVAAKLDLSNVADTEEDRDTLLQLLFTFGVEP
NIGKEKPTFVYHFPASQASLAQISTEDHRVAERFEVYYKGIELANGFHEL
TDAREQQQRFEQDNRKRAARGLPQHPIDQNLIEALKVGMPDCSGVALGVD
RLVMLALGAETLAEVIAFSVDRA

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

3a5z Chain A Residue 990 [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	3a5z A paralog of lysyl-tRNA synthetase aminoacylates a conserved lysine residue in translation elongation factor P.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	E78 R100 H108 N109 F112 M114 Y118 E244 L245 N247 F249 E251 G300
Binding residue (residue number reindexed from 1)	E76 R98 H106 N107 F110 M112 Y116 E242 L243 N245 F247 E249 G298
Annotation score	2

Enzyme Commision number

6.3.1.-

	Molecular Function
GO:0000049	tRNA binding
GO:0000166	nucleotide binding
GO:0004812	aminoacyl-tRNA ligase activity
GO:0004824	lysine-tRNA ligase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0016874	ligase activity
GO:0016880	acid-ammonia (or amide) ligase activity
GO:0042803	protein homodimerization activity
GO:0052868	protein-lysine lysyltransferase activity

	Biological Process
GO:0006418	tRNA aminoacylation for protein translation
GO:0006430	lysyl-tRNA aminoacylation
GO:0043687	post-translational protein modification
GO:0071468	cellular response to acidic pH

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

PDB	RCSB:3a5z, PDBe:3a5z, PDBj:3a5z
PDBsum	3a5z
PubMed	20729861
UniProt	P0A8N7\|EPMA_ECOLI Elongation factor P--(R)-beta-lysine ligase (Gene Name=epmA)

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Structure of PDB 3a5z Chain A Binding Site BS01