Structure of PDB 1wat Chain B Binding Site BS01

Receptor Information
>1wat Chain B (length=143) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGFVISNELRQQQSELTSTWDLMLQTRINLSRSAARMMMDASNQQSSAKT
DLLQNAKTTLAQAAAHYANFKNMTPLPAMAEASANVDEKYQRYQAALAEL
IQFLDNGNMDAYFAQPTQGMQNALGEALGNYARVSENLYRQTF
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 chain1wat Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wat The three-dimensional structure of the ligand-binding domain of a wild-type bacterial chemotaxis receptor. Structural comparison to the cross-linked mutant forms and conformational changes upon ligand binding.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y149 F150 Q152 T154
Binding residue
(residue number reindexed from 1)		Y112 F113 Q115 T117
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:1wat, PDBe:1wat, PDBj:1wat
PDBsum1wat
PubMed8486661
UniProtP02941|MCP2_SALTY Methyl-accepting chemotaxis protein II (Gene Name=tar)

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