Structure of PDB 2ztg Chain A Binding Site BS01

Receptor Information
>2ztg Chain A (length=739) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTLDEEYLDITFLTENGFVRKRCPKCGKHFWTADPEREICGDPPCESYSF
IGNPVFKKPFELDEMREYYLNFFERRGHGRIERYPVVARWRTDIYLTIAS
IADFQPFVTSGVAPPPANPLTISQPCIRLDDLDSVGRTGRHLTLFEMMAH
HAFNYPGKEIYWKNETVAYCTELLNELGVKKEDIVYKEEPWAGGGNAGPC
LEAIVGGLEVATLVFMNLEEHPEGDIEIKGARYRKMDNYIVDTGYGLERF
VWASKGTPTVYDAIFPEVVDTIIDNSNVSFNREDERVRRIVAESSKLAGI
MGELRGERLNQLRKSVADTVGVSVEELEGIVVPLEKVYSLADHTRCILFM
LGDGLVPSNAGAGYLARLMIRRSLRLAEELELGLDLYDLVEMHKKILGFE
FDVPLSTVQEILELEKERYRTTVSKGTRLVERLVERKKKLEKDDLIELYD
SHGIPVELAVGIAAEKGAEVEMPKDIYAELAKRHSKAEKVQEKKITLQNE
YPATEKLYYDDPTLLEFEAEVIGVEGDFVILNRSAFYPESGGQDNDVGYL
IANGGKFEVVDVLEADGVVLHVVKGAKPEVGTKVKGVIDSDVRWRHMRHH
SATHVLLYSLQKVLGNHVWQAGARKEFSKARLDVTHFRRPSEEEIKEIEM
LANREILANKPIKWEWMDRIEAERKFGFRLYQGGVPPGRKIRVVQVGDDV
QACGGTHCRSTGEIGMLKILKVESIQDGVIRFEFAAGEA
Ligand information
Ligand IDA5A
InChIInChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
InChIKeyCWWYMWDIYBJVLP-YTMOPEAISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N
CACTVS 3.341C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N
CACTVS 3.341C[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 10.04O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C
FormulaC13 H19 N7 O7 S
Name'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
ChEMBLCHEMBL1163065
DrugBankDB03376
ZINC
PDB chain2ztg Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2ztg Unique protein architecture of alanyl-tRNA synthetase for aminoacylation, editing, and dimerization.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R128 D131 H141 L142 F145 M147 W191 E209 V210 A211 T212 V214 D242 G244 G246
Binding residue
(residue number reindexed from 1)		R128 D131 H141 L142 F145 M147 W191 E209 V210 A211 T212 V214 D242 G244 G246
Annotation score2
Enzymatic activity
Enzyme Commision number 6.1.1.7: alanine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004813 alanine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006419 alanyl-tRNA aminoacylation
GO:0043039 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:2ztg, PDBe:2ztg, PDBj:2ztg
PDBsum2ztg
PubMed19423669
UniProtO28029|SYA_ARCFU Alanine--tRNA ligase (Gene Name=alaS)

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