Structure of PDB 4z9i Chain A Binding Site BS01

Receptor Information
>4z9i Chain A (length=164) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFFSSLHHSQKSFVVSNQLREQQGELTSTWDLMLQTRINLSRSAVRMMMD
SSNQQSNAKVELLDSARKTLAQAATHYKKFKSMAPLPEMVATSRNIDEKY
KNYYTALTELIDYLDYGNTGAYFAQPTQGMQNAMGEAFAQYALSSEKLYR
DIVTDNADDYRFAQ
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain4z9i Chain B Residue 201 [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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PDB4z9i Structural Analysis of the Ligand-Binding Domain of the Aspartate Receptor Tar from Escherichia coli
Resolution1.57 Å
Binding residue
(original residue number in PDB)		R69 R73
Binding residue
(residue number reindexed from 1)		R42 R46
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006935 chemotaxis
GO:0007165 signal transduction

View graph for
Biological Process
External links
PDB RCSB:4z9i, PDBe:4z9i, PDBj:4z9i
PDBsum4z9i
PubMed27292793
UniProtP07017|MCP2_ECOLI Methyl-accepting chemotaxis protein II (Gene Name=tar)

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