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BioLiP

Structure of PDB 2yfa Chain B Binding Site BS01

Receptor Information
>2yfa Chain B (length=235) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMGDIGQLNKDLTDLRIARLQYMIANGDDTAAANTLAKLDAFSKQQAYL
ATTFKSPENVKLLGELGDTISAYKLSLNKMRQGYDATRAARVSMDSSAIR
ADQAMDALSQEVMARPEADSVRLAQYQLISKARQQLLQVRIDVRGYIAEN
SSANEQAALRQLDAALADTDNLKRQLPSEDARLQQFENAVLAYRDAVRQF
RDAVANITTSRAEMTVQGADIVKRSDALYQIQLER
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain2yfa Chain B Residue 504 [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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PDB2yfa Evidence for Chemoreceptors with Bimodular Ligand-Binding Regions Harboring Two Signal-Binding Sites.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R187 V190 R191 Y240
Binding residue
(residue number reindexed from 1)		R140 V143 R144 Y193
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2yfa, PDBe:2yfa, PDBj:2yfa
PDBsum2yfa
PubMed23112148
UniProtQ88E10|MCPS_PSEPK Methyl-accepting chemotaxis protein McpS (Gene Name=mcpS)

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