Structure of PDB 7t3n Chain A Binding Site BS02

Receptor Information
>7t3n Chain A (length=452) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LCDCTCFGLPRRYIIAIMSGLGFCISFGIRCNLGVAIVDMVNNSTIHRGG
KVIKEKAKFNWDPETVGMIHGSFFWGYIITQIPGGYIASRLAANRVFGAA
ILLTSTLNMLIPSAARVHYGCVIFVQILQGLVQGVTYPACHGIWSKWAPP
LERSRLATTSFCGSYAGAVIAMPLAGILVQYTGWSSVFYVYGSFGMVWYM
FWLLVSYESPAKHPTITDEERRYIEESIGESANLLGAMEKFKTPWRKFFT
SMPVYAIIVANFCRSWTFYLLLISQPAYFEEVFGFEISKVGMLSAVPHLV
MTIIVPIGGQIADFLRSKQILSTTTVRKIMNCGGFGMEATLLLVVGYSHT
RGVAISFLVLAVGFSGFAISGFNVNHLDIAPRYASILMGISNGVGTLSGM
VCPIIVGAMTKNKSREEWQYVFLIAALVHYGGVIFYALFASGEKQPWADP
EE
Ligand information
Ligand IDI7Y
InChIInChI=1S/C45H74O15/c1-23-8-14-45(56-20-23)24(2)34-31(60-45)17-30-28-7-6-26-16-27(9-12-43(26,3)29(28)10-13-44(30,34)4)54-15-11-25(21-53-5)22-55-41-39(52)37(50)40(33(19-47)58-41)59-42-38(51)36(49)35(48)32(18-46)57-42/h6,23-25,27-42,46-52H,7-22H2,1-5H3/t23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42-,43+,44+,45-/m1/s1
InChIKeyMUCLRRLHERFRKG-ZHIGRBBGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1
CACTVS 3.385COC[C@@H](CCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@H]45)[C@@H]3CC=C2C1)CO[C@@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O
OpenEye OEToolkits 2.0.7C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCC[C@H](COC)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1
CACTVS 3.385COC[CH](CCO[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](C[CH]5O[C]6(CC[CH](C)CO6)[CH](C)[CH]45)[CH]3CC=C2C1)CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)[CH](O)[CH]7O
ACDLabs 12.01OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1
FormulaC45 H74 O15
Name(2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
ChEMBL
DrugBank
ZINC
PDB chain7t3n Chain A Residue 602 [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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PDB7t3n Substrate Recognition, Directional Flux, and Allostery in a Synaptic Vesicle Glutamate Transporter
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R70 Y71 E210 G221
Binding residue
(residue number reindexed from 1)		R12 Y13 E152 G163
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005254 chloride channel activity
GO:0005313 L-glutamate transmembrane transporter activity
GO:0005326 neurotransmitter transmembrane transporter activity
GO:0005436 sodium:phosphate symporter activity
GO:0015293 symporter activity
GO:0015297 antiporter activity
GO:0015386 potassium:proton antiporter activity
GO:0022857 transmembrane transporter activity
GO:0140787 phosphate ion uniporter activity
GO:0140788 L-glutamate uniporter activity
Biological Process
GO:0001504 neurotransmitter uptake
GO:0003407 neural retina development
GO:0006814 sodium ion transport
GO:0006817 phosphate ion transport
GO:0006820 monoatomic anion transport
GO:0006821 chloride transport
GO:0006836 neurotransmitter transport
GO:0015813 L-glutamate transmembrane transport
GO:0021766 hippocampus development
GO:0034220 monoatomic ion transmembrane transport
GO:0035249 synaptic transmission, glutamatergic
GO:0035725 sodium ion transmembrane transport
GO:0044341 sodium-dependent phosphate transport
GO:0050803 regulation of synapse structure or activity
GO:0051938 L-glutamate import
GO:0055062 phosphate ion homeostasis
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
GO:0098700 neurotransmitter loading into synaptic vesicle
GO:1902476 chloride transmembrane transport
GO:1902600 proton transmembrane transport
GO:1990384 hyaloid vascular plexus regression
Cellular Component
GO:0005769 early endosome
GO:0005886 plasma membrane
GO:0008021 synaptic vesicle
GO:0030672 synaptic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0034707 chloride channel complex
GO:0043005 neuron projection
GO:0045202 synapse
GO:0060076 excitatory synapse
GO:0098793 presynapse
GO:1990030 pericellular basket

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7t3n, PDBe:7t3n, PDBj:7t3n
PDBsum7t3n
PubMed
UniProtQ9JI12|VGLU2_RAT Vesicular glutamate transporter 2 (Gene Name=Slc17a6)

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