Structure of PDB 4io4 Chain A Binding Site BS01

Receptor Information
>4io4 Chain A (length=244) Species: 104782 (Adineta vaga) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARLKGITLRIGVIESVPFTIVANVIDRNTTKLTGYVLDLIEYLRDKMGF
VADVQLAPPNTSYTGLVLALANGDYDIAIGDITVTSARREIVAFSNSISD
NSMRILMRKGTLIDGMDDLKNGKIPYNRIGIRIGTAGEDYYLREISGGSR
NFYPLKSRQEMYDSLLAGIIDVSFMDIGTAEYVTNNIYCNLTLVGEDFDK
STFGIVTPKEWLYAKDLDVNILSLRETGILDNLKKKWFQTKACP
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 chain4io4 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4io4 Anions Mediate Ligand Binding in Adineta vaga Glutamate Receptor Ion Channels.
Resolution1.941 Å
Binding residue
(original residue number in PDB)		Y67 T87 R92 T139 D180
Binding residue
(residue number reindexed from 1)		Y63 T83 R88 T135 D176
Annotation score4
Binding affinityMOAD: Kd=24uM
PDBbind-CN: -logKd/Ki=4.61,Kd=24.5uM
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:4io4, PDBe:4io4, PDBj:4io4
PDBsum4io4
PubMed23434404
UniProtE9P5T5

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