Structure of PDB 6ssi Chain C Binding Site BS01

Receptor Information
>6ssi Chain C (length=307) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPL
IVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARF
LGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEE
IDEWWIRGKASTHISDIRYDHLSPNQNEFSRITVRIDAVRNPSYYLWSFI
LPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYT
TVIDQMIIAGYGSIFAAILLIIFAHHRQANDDLLIQRCRLAFPLGFLAIG
CVLVIRG
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain6ssi Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ssi Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		E131 Y175 F188
Binding residue
(residue number reindexed from 1)		E125 Y169 F179
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ssi, PDBe:6ssi, PDBj:6ssi
PDBsum6ssi
PubMed31990273
UniProtP0C7B7|ELIC_DICCH Cys-loop ligand-gated ion channel

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