Structure of PDB 4io5 Chain B Binding Site BS01

Receptor Information
>4io5 Chain B (length=242) Species: 104782 (Adineta vaga) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSARLKGITLRIGVIESVPFTIVANVITTKLTGYVLDLIEYLRDKMGFVA
DVQLAPPNTSYTGLVLALANGDYDIAIGDITVTSARREIVAFSNSISDNS
MRILMRKGTLIDGMDDLKNGKIPYNRIGIRIGTAGEDYYLREISGGSRNF
YPLKSRQEMYDSLLAGIIDVSFMDIGTAEYVTNNIYCNLTLVGEDFDKST
FGIVTPKEWLYAKDLDVNILSLRETGILDNLKKKWFQTKACP
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain4io5 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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PDB4io5 Anions Mediate Ligand Binding in Adineta vaga Glutamate Receptor Ion Channels.
Resolution1.721 Å
Binding residue
(original residue number in PDB)		Y67 I86 T87 R92 T139 D180
Binding residue
(residue number reindexed from 1)		Y61 I80 T81 R86 T133 D174
Annotation score4
Binding affinityMOAD: Kd=9uM
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
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Cellular Component
External links
PDB RCSB:4io5, PDBe:4io5, PDBj:4io5
PDBsum4io5
PubMed23434404
UniProtE9P5T5

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