Structure of PDB 6s3q Chain B Binding Site BS02

Receptor Information
>6s3q Chain B (length=430) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWKRFLKNNWVLLSTVAAVVLGITTGVLVREHRNLSTLEKFYFAFPGEIL
MRMLKLIILPLIISSMITGVAALDSNVSGKIGVRAVVYYFCTTLIAVILG
IVLVVSIKPGVTQVSTVDAMLDLIRNMFPENLVQACFQQYKTKREEVKPK
TKEYKIVGMYSDGINVLGLIVFCLVFGLVIGKMGEKGQILVDFFNALSDA
TMKIVQIIMCYMPLGILFLIAGKIIEVEDWEIFRKLGLYMATVLTGLAIH
SIVILPLIYFIVVRKNPFRFAMGMAQALLTALMISSSSATLPVTFRCAEE
NNQVDKRITRFVLPVGATINMDGTALYEAVAAVFIAQLNDLDLGIGQIIT
ISITATSASIGAAGVPQAGLVTMVIVLSAVGLPAEDVTLIIAVDWLLDRF
RTMVNVLGDAFGTGIVEKLSKKELEQMDVS
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain6s3q Chain B Residue 503 [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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PDB6s3q Structure of human excitatory amino acid transporter 3 (EAAT3)
Resolution3.34 Å
Binding residue
(original residue number in PDB)		K89 R93
Binding residue
(residue number reindexed from 1)		K80 R84
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005253 monoatomic anion channel activity
GO:0005313 L-glutamate transmembrane transporter activity
GO:0005314 high-affinity L-glutamate transmembrane transporter activity
GO:0005515 protein binding
GO:0015108 chloride transmembrane transporter activity
GO:0015179 L-amino acid transmembrane transporter activity
GO:0015183 L-aspartate transmembrane transporter activity
GO:0015293 symporter activity
GO:0015501 glutamate:sodium symporter activity
GO:0016595 glutamate binding
GO:0033229 cysteine transmembrane transporter activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0140010 D-aspartate transmembrane transporter activity
Biological Process
GO:0001662 behavioral fear response
GO:0001975 response to amphetamine
GO:0002027 regulation of heart rate
GO:0006749 glutathione metabolic process
GO:0006750 glutathione biosynthetic process
GO:0006801 superoxide metabolic process
GO:0006811 monoatomic ion transport
GO:0006836 neurotransmitter transport
GO:0006865 amino acid transport
GO:0006882 intracellular zinc ion homeostasis
GO:0007212 G protein-coupled dopamine receptor signaling pathway
GO:0007215 glutamate receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0007420 brain development
GO:0007611 learning or memory
GO:0007613 memory
GO:0007625 grooming behavior
GO:0007626 locomotory behavior
GO:0009410 response to xenobiotic stimulus
GO:0010460 positive regulation of heart rate
GO:0010467 gene expression
GO:0010842 retina layer formation
GO:0015813 L-glutamate transmembrane transport
GO:0019221 cytokine-mediated signaling pathway
GO:0022008 neurogenesis
GO:0030534 adult behavior
GO:0034599 cellular response to oxidative stress
GO:0035633 maintenance of blood-brain barrier
GO:0036293 response to decreased oxygen levels
GO:0042417 dopamine metabolic process
GO:0042883 cysteine transport
GO:0043278 response to morphine
GO:0043524 negative regulation of neuron apoptotic process
GO:0045184 establishment of protein localization
GO:0048514 blood vessel morphogenesis
GO:0048678 response to axon injury
GO:0050808 synapse organization
GO:0051402 neuron apoptotic process
GO:0051938 L-glutamate import
GO:0060013 righting reflex
GO:0060041 retina development in camera-type eye
GO:0060047 heart contraction
GO:0060291 long-term synaptic potentiation
GO:0061744 motor behavior
GO:0070633 transepithelial transport
GO:0070777 D-aspartate transmembrane transport
GO:0070778 L-aspartate transmembrane transport
GO:0070779 D-aspartate import across plasma membrane
GO:0071242 cellular response to ammonium ion
GO:0071288 cellular response to mercury ion
GO:0071314 cellular response to cocaine
GO:0071407 cellular response to organic cyclic compound
GO:0071577 zinc ion transmembrane transport
GO:0072347 response to anesthetic
GO:0090313 regulation of protein targeting to membrane
GO:0090461 intracellular glutamate homeostasis
GO:0097049 motor neuron apoptotic process
GO:0098712 L-glutamate import across plasma membrane
GO:0098877 neurotransmitter receptor transport to plasma membrane
GO:0099170 postsynaptic modulation of chemical synaptic transmission
GO:0140009 L-aspartate import across plasma membrane
GO:0150104 transport across blood-brain barrier
GO:1902476 chloride transmembrane transport
GO:1903712 cysteine transmembrane transport
GO:1903926 cellular response to bisphenol A
GO:1990708 conditioned place preference
Cellular Component
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0031901 early endosome membrane
GO:0031902 late endosome membrane
GO:0031982 vesicle
GO:0032279 asymmetric synapse
GO:0043005 neuron projection
GO:0043025 neuronal cell body
GO:0043083 synaptic cleft
GO:0043197 dendritic spine
GO:0043198 dendritic shaft
GO:0043204 perikaryon
GO:0043679 axon terminus
GO:0045121 membrane raft
GO:0045202 synapse
GO:0055037 recycling endosome
GO:0055038 recycling endosome membrane
GO:0070062 extracellular exosome
GO:0071944 cell periphery
GO:0097386 glial cell projection
GO:0097440 apical dendrite
GO:0098685 Schaffer collateral - CA1 synapse
GO:0098793 presynapse
GO:0099544 perisynaptic space
GO:0150002 distal dendrite
GO:1990635 proximal dendrite

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6s3q, PDBe:6s3q, PDBj:6s3q
PDBsum6s3q
PubMed
UniProtP43005|EAA3_HUMAN Excitatory amino acid transporter 3 (Gene Name=SLC1A1)

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