Structure of PDB 1li7 Chain B Binding Site BS02

Receptor Information
>1li7 Chain B (length=375) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKIFNTLTRQKEEFKPIHAGEVGMYVCGITVYDLCHIGHGRTFVAFDVV
ARYLRFLGYKLKYVRNITDIDDKIIKRESFVAMVDRMIAEMHKDFDALNI
LRPDMEPRATHHIAEIIELTEQLIAKGHAYVADNGDVMFDVPTDPTYGVL
SRQRNPMDFVLWKMSKEGEPSWPSPWGAGRPGWHIECSAMNCKQLGNHFD
IHGGGSDLMFPHHENEIAQSTCAHDGQYVNYWMHSGMVMVDREKMNFFTV
RDVLKYYDAETVRYFLMSGHYRSQLNYSEENLKQARAALERLYTALRGTD
KTVAPAGGEAFEARFIEAMDDDFNTPEAYSVLFDMAREVNRLKAEDMAAA
NAMASHLRKLSAVLGLLEQEPEAFL
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain1li7 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1li7 Structural origins of amino acid selection without editing by cysteinyl-tRNA synthetase
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C28 G29 I30 T31 T68 W205 H234
Binding residue
(residue number reindexed from 1)		C28 G29 I30 T31 T68 W183 H212
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H37 H40
Catalytic site (residue number reindexed from 1) H37 H40
Enzyme Commision number 6.1.1.16: cysteine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004817 cysteine-tRNA ligase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006423 cysteinyl-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:1li7, PDBe:1li7, PDBj:1li7
PDBsum1li7
PubMed12032090
UniProtP21888|SYC_ECOLI Cysteine--tRNA ligase (Gene Name=cysS)

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