Structure of PDB 2e89 Chain B Binding Site BS01

Receptor Information
>2e89 Chain B (length=314) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNPESRVIRKVLALQNDEKIFSGERRVLIAFSGGVDSVVLTDVLLKLKNY
FSLKEVALAHFNHMLRESAERDEEFCKEFAKERNMKIFVGKEDVRAFAKE
NRMSLEEAGRFLRYKFLKEILESEGFDCIATAHHLNDLLETSLLFFTRGT
GLDGLIGFLPKEEVIRRPLYYVKRSEIEEYAKFKGLRWVEDETNYEVSIP
RNRIRHRVIPELKRINENLEDTFLKMVKVLRAEREFLEEEAQKLYKEVKK
GNCLDVKKLKEKPLALQRRVIRKFIGEKDYEKVELVRSLLEKGGEVNLGK
GKVLKRKERWLCFS
Ligand information
Ligand IDLYS
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain2e89 Chain B Residue 950 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2e89 Structural basis of the initial binding of tRNA(Ile) lysidine synthetase TilS with ATP and L-lysine
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V35 W188 V189 D191
Binding residue
(residue number reindexed from 1)		V35 W188 V189 D191
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.4.19: tRNA(Ile)-lysidine synthetase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016879 ligase activity, forming carbon-nitrogen bonds
GO:0032267 tRNA(Ile)-lysidine synthase activity
Biological Process
GO:0006400 tRNA modification
GO:0008033 tRNA processing
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:2e89, PDBe:2e89, PDBj:2e89
PDBsum2e89
PubMed
UniProtO67728|TILS_AQUAE tRNA(Ile)-lysidine synthase (Gene Name=tilS)

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