Structure of PDB 8gnk Chain A Binding Site BS05

Receptor Information
>8gnk Chain A (length=525) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFDFLMSCVGYAIGLGNVWRFPYLCGKNGGGAFLIPYFLTLIFAGVPLFL
LECSLGQYTSIGGLGVWKLAPMFKGVGLAAAVLSFWLNIYYIVIISWAIY
YLYNSFTTTLPWKQCDNPWNTDRCFSNYSLVNTTNMTSAVVEFWERNMHQ
MTDGLDKPGQIRWPLAITLAIAWVLVYFCIWKGVGWTGKVVYFSATYPYI
MLIILFFRGVTLPGAKEGILFYITPNFRKLSDSEVWLDAATQIFFSYGLG
LGSLIALGSYNSYHNNVYRDSIIVCCINSCTSMFAGFVIFSIVGFMAHVT
KRSIADVAASGPGLAFLAYPEAVTQLPISPLWAILFFSMLLMLGIDSQFC
TVEGFITALVDEYPRLLRNRRELFIAAVCIVSYLIGLSNITQGGIYVFKL
FDYYSASGMSLLFLVFFECVSISWFYGVNRFSEDIRDMIGFPPCIWWKLC
WSFFTPIIVAGVFLFSAVQMTPLTMGSYVFPKWGQGVGWLMALSSMVLIP
GYMAYMFLTLKGSLKQRLQVMIQPS
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 chain8gnk Chain A Residue 607 [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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PDB8gnk Cryo-EM structure of GABA transporter 1 reveals substrate recognition and transport mechanism.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		S437 W532 V536
Binding residue
(residue number reindexed from 1)		S388 W483 V487
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005283 amino acid:sodium symporter activity
GO:0005332 gamma-aminobutyric acid:sodium:chloride symporter activity
GO:0005515 protein binding
GO:0015185 gamma-aminobutyric acid transmembrane transporter activity
GO:0015293 symporter activity
GO:0015378 sodium:chloride symporter activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0003333 amino acid transmembrane transport
GO:0006836 neurotransmitter transport
GO:0006865 amino acid transport
GO:0007612 learning
GO:0007613 memory
GO:0008306 associative learning
GO:0009636 response to toxic substance
GO:0009744 response to sucrose
GO:0010288 response to lead ion
GO:0014054 positive regulation of gamma-aminobutyric acid secretion
GO:0014070 response to organic cyclic compound
GO:0014074 response to purine-containing compound
GO:0032229 negative regulation of synaptic transmission, GABAergic
GO:0032355 response to estradiol
GO:0035725 sodium ion transmembrane transport
GO:0042220 response to cocaine
GO:0050808 synapse organization
GO:0051592 response to calcium ion
GO:0051939 gamma-aminobutyric acid import
GO:0098658 inorganic anion import across plasma membrane
GO:0098719 sodium ion import across plasma membrane
GO:0098810 neurotransmitter reuptake
GO:1902476 chloride transmembrane transport
GO:1904313 response to methamphetamine hydrochloride
Cellular Component
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0030424 axon
GO:0042734 presynaptic membrane
GO:0042995 cell projection
GO:0043025 neuronal cell body
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:0098793 presynapse
GO:0098982 GABA-ergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8gnk, PDBe:8gnk, PDBj:8gnk
PDBsum8gnk
PubMed37400654
UniProtP23978|SC6A1_RAT Sodium- and chloride-dependent GABA transporter 1 (Gene Name=Slc6a1)

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