Structure of PDB 7xr6 Chain C Binding Site BS02

Receptor Information
>7xr6 Chain C (length=424) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLCDKLGKNLLLTLTVFGVILGAVCGGLLRLASPIHPDVVMLIAFPGDIL
MRMLKMLILPLIISSLITGLSGLDAKASGRLGTRAMVYYMSTTIIAAVLG
VILVLAIHPGNPKVSSLDAFLDLIRNLFPENLVQACFQQIQTVTKVIKKG
LEFKDGMNVLGLIGFFIAFGIAMGKMGDQAKLMVDFFNILNEIVMKLVIM
IMWYSPLGIACLICGKIIAIKDLEVVARQLGMYMVTVIIGLIIHGGIFLP
LIYFVVTRKNPFSFFAGIFQAWITALGTASSAGTLPVTFRCLEENLGIDK
RVTRFVLPVGATINMDGTALYEAVAAIFIAQMNGVVLDGGQIVTVSLTAT
LASVGAASIPSAGLVTMLLILTAVGLPTEDISLLVAVDWLLDRMRTSVNV
VGDSFGAGIVYHLSKSELDTIDSQ
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 chain7xr6 Chain C Residue 603 [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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PDB7xr6 Structural basis of ligand binding modes of human EAAT2.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		R115 R119 S126 I130 I335
Binding residue
(residue number reindexed from 1)		R80 R84 S91 I95 I252
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005313 L-glutamate transmembrane transporter activity
GO:0005314 high-affinity L-glutamate transmembrane transporter activity
GO:0005515 protein binding
GO:0008509 monoatomic anion transmembrane transporter activity
GO:0015175 neutral L-amino acid transmembrane transporter activity
GO:0015179 L-amino acid transmembrane transporter activity
GO:0015293 symporter activity
GO:0015501 glutamate:sodium symporter activity
GO:0033229 cysteine transmembrane transporter activity
GO:0046872 metal ion binding
Biological Process
GO:0006750 glutathione biosynthetic process
GO:0006811 monoatomic ion transport
GO:0006836 neurotransmitter transport
GO:0006865 amino acid transport
GO:0007268 chemical synaptic transmission
GO:0007399 nervous system development
GO:0007632 visual behavior
GO:0009410 response to xenobiotic stimulus
GO:0009416 response to light stimulus
GO:0009611 response to wounding
GO:0015804 neutral amino acid transport
GO:0015813 L-glutamate transmembrane transport
GO:0021537 telencephalon development
GO:0030534 adult behavior
GO:0035264 multicellular organism growth
GO:0043200 response to amino acid
GO:0046326 positive regulation of D-glucose import
GO:0070207 protein homotrimerization
GO:0070633 transepithelial transport
GO:0070778 L-aspartate transmembrane transport
GO:0070779 D-aspartate import across plasma membrane
GO:0071314 cellular response to cocaine
GO:0098656 monoatomic anion transmembrane transport
GO:0098712 L-glutamate import across plasma membrane
GO:0098810 neurotransmitter reuptake
GO:0140009 L-aspartate import across plasma membrane
GO:0150104 transport across blood-brain barrier
GO:1903712 cysteine transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0030424 axon
GO:0030673 axolemma
GO:0031982 vesicle
GO:0042734 presynaptic membrane
GO:0044297 cell body
GO:0044306 neuron projection terminus
GO:0045121 membrane raft
GO:0045202 synapse
GO:0097449 astrocyte projection
GO:0098796 membrane protein complex
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xr6, PDBe:7xr6, PDBj:7xr6
PDBsum7xr6
PubMed35680945
UniProtP43004|EAA2_HUMAN Excitatory amino acid transporter 2 (Gene Name=SLC1A2)

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