Structure of PDB 3atp Chain B Binding Site BS01

Receptor Information
>3atp Chain B (length=151) Species: 316407 (Escherichia coli str. K-12 substr. W3110) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENFTVLQTIRQQQSTLNGSWVALLQTRNTLNRAGIRYMMDQNNIGSGSTV
AELMESASISLKQAEKNWADYEALPRDPRQSTAAAAEIKRNYDIYHNALA
ELIQLLGAGKINEFFDQPTQGYQDGFEKQYVAYMEQNDRLHDIAVSDNNA
S
Ligand information
Ligand IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain3atp 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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PDB3atp Ligand specificity determined by differentially arranged common ligand-binding residues in bacterial amino acid chemoreceptors Tsr and Tar.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R64 N68 F151 F152 T156
Binding residue
(residue number reindexed from 1)		R27 N31 F114 F115 T119
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.45,Kd=35.6uM
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:3atp, PDBe:3atp, PDBj:3atp
PDBsum3atp
PubMed21979954
UniProtP02942|MCP1_ECOLI Methyl-accepting chemotaxis protein I (Gene Name=tsr)

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