Structure of PDB 7vr8 Chain A Binding Site BS02

Receptor Information
>7vr8 Chain A (length=402) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLLLTLTVFGVILGAVCGGLLRLASPIHPDVVMLIAFPGDILMRMLKMLI
LPLIISSLITGLSGLDGRLGTRAMVYYMSTTIIAAVLGVILVLAIHPGNP
SSLDAFLDLIRNLFPENLVQACFQQIQTVTKIKKGLEFKDGMNVLGLIGF
FIAFGIAMGKMGDQAKLMVDFFNILNEIVMKLVIMIMWYSPLGIACLICG
KIIAIKDLEVVARQLGMYMVTVIIGLIIHGGIFLPLIYFVVTRKNPFSFF
AGIFQAWITALGTASSAGTLPVTFRCLEENLGIDKRVTRFVLPVGATINM
DGTALYEAVAAIFIAQMNGVVLDGGQIVTVSLTATLASVGAASIPSAGLV
TMLLILTAVGLPTEDISLLVAVDWLLDRMRTSVNVVGDSFGAGIVYHLSK
SE
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(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)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7vr8 Chain A Residue 1102 [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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PDB7vr8 Structural insights into inhibitory mechanism of human excitatory amino acid transporter EAAT2.
Resolution3.58 Å
Binding residue
(original residue number in PDB)		L45 W286 L290
Binding residue
(residue number reindexed from 1)		L2 W188 L192
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
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Cellular Component
External links
PDB RCSB:7vr8, PDBe:7vr8, PDBj:7vr8
PDBsum7vr8
PubMed35953475
UniProtP43004|EAA2_HUMAN Excitatory amino acid transporter 2 (Gene Name=SLC1A2)

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