Structure of PDB 4io6 Chain B Binding Site BS01

Receptor Information
>4io6 Chain B (length=243) Species: 104782 (Adineta vaga) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSARLKGITLRIGVIESVPFTIVANVINTTKLTGYVLDLIEYLRDKMGFV
ADVQLAPPNTSYTGLVLALANGDYDIAIGDITVTSARREIVAFSNSISDN
SMRILMRKGTLIDGMDDLKNGKIPYNRIGIRIGTAGEDYYLREISGGSRN
FYPLKSRQEMYDSLLAGIIDVSFMDIGTAEYVTNNIYCNLTLVGEDFDKS
TFGIVTPKEWLYAKDLDVNILSLRETGILDNLKKKWFQTKACP
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain4io6 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4io6 Anions Mediate Ligand Binding in Adineta vaga Glutamate Receptor Ion Channels.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y67 I86 T87 R92 M107 T139 M179 D180
Binding residue
(residue number reindexed from 1)		Y62 I81 T82 R87 M102 T134 M174 D175
Annotation score4
Binding affinityMOAD: Kd=15uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4io6, PDBe:4io6, PDBj:4io6
PDBsum4io6
PubMed23434404
UniProtE9P5T5

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