Structure of PDB 1c0a Chain A Binding Site BS03

Receptor Information
>1c0a Chain A (length=585) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRTEYCGQLRLSHVGQQVTLCGWVNRRRDLGSLIFIDMRDREGIVQVFFD
PDRADALKLASELRNEFCIQVTGTVRARDEKNINRDMATGEIEVLASSLT
IINRADVLPLDSNHVNTEEARLKYRYLDLRRPEMAQRLKTRAKITSLVRR
FMDDHGFLDIETPMLTKATPEGARDYLVPSRVHKGKFYALPQSPQLFKQL
LMMSGFDRYYQIVKCFRDEDLRADRQPEFTQIDVETSFMTAPQVREVMEA
LVRHLWLEVKGVDLGDFPVMTFAEAERRYGSDKPDLRNPMELTDVADLLK
SVEFAVFAGPANDPKGRVAALRVPGGASLTRKQIDEYGNFVKIYGAKGLA
YIKVNERAKGLEGINSPVAKFLNAEIIEDILDRTAAQDGDMIFFGADNKK
IVADAMGALRLKVGKDLGLTDESKWAPLWVIDFPMFEDDGEGGLTAMHHP
FTSPKDMTAAELKAAPENAVANAYDMVINGYEVGGGSVRIHNGDMQQTVF
GILGINEEEQREKFGFLLDALKYGTPPHAGLAFGLDRLTMLLTGTDNIRD
VIAFPKTTAAACLMTEAPSFANPTALAELSIQVVK
Ligand information
Ligand IDAMO
InChIInChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1
InChIKeyQPBSGQWTJLPZNF-VWJPMABRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CC(=O)O)N)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N
CACTVS 3.341N[CH](CC(O)=O)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341N[C@@H](CC(O)=O)C(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
FormulaC14 H19 N6 O10 P
NameASPARTYL-ADENOSINE-5'-MONOPHOSPHATE
ChEMBL
DrugBankDB01895
ZINCZINC000031976613
PDB chain1c0a Chain A Residue 831 [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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PDB1c0a Synthesis of aspartyl-tRNA(Asp) in Escherichia coli--a snapshot of the second step.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S193 Q195 K198 R217 Q226 F229 Q231 H448 E482 V483 G484 G485 G486 R489 L531 A532 G534 R537
Binding residue
(residue number reindexed from 1)		S193 Q195 K198 R217 Q226 F229 Q231 H448 E482 V483 G484 G485 G486 R489 L531 A532 G534 R537
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E482 G485 R537
Catalytic site (residue number reindexed from 1) E482 G485 R537
Enzyme Commision number 6.1.1.12: aspartate--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004815 aspartate-tRNA ligase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006422 aspartyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1c0a, PDBe:1c0a, PDBj:1c0a
PDBsum1c0a
PubMed10562565
UniProtP21889|SYD_ECOLI Aspartate--tRNA ligase (Gene Name=aspS)

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