Structure of PDB 7y7w Chain A Binding Site BS01

Receptor Information
>7y7w Chain A (length=529) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRFDFLMSCVGYAIGLGNVWRFPYLCGKNGGGAFLIPYFLTLIFAGVPLF
LLECSLGQYTSIGGLGVWKLAPMFKGVGLAAAVLSFWLNIYYIVIISWAI
YYLYNSFTTTLPWKQCDNPWNTDRCFSNYSMVNTTNMTSAVVEFWERNMH
QMTDGLDKPGQIRWPLAITLAIAWILVYFCIWKGVGWTGKVVYFSATYPY
IMLIILFFRGVTLPGAKEGILFYITPNFRKLSDSEVWLDAATQIFFSYGL
GLGSLIALGSYNSFHNNVYRDSIIVCCINSCTSMFAGFVIFSIVGFMAHV
TKRSIADVAASGPGLAFLAYPEAVTQLPISPLWAILFFSMLLMLGIDSQF
CTVEGFITALVDEYPRLLRNRRELFIAAVCIISYLIGLSNITQGGIYVFK
LFDYYSASGMSLLFLVFFECVSISWFYGVNRFYDNIQEMVGSRPCIWWKL
CWSFFTPIIVAGVFIFSAVQMTPLTMGNYVFPKWGQGVGWLMALSSMVLI
PGYMAYMFLTLKGSLKQRIQVMVQPSEDI
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain7y7w Chain A Residue 701 [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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PDB7y7w Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y60 A61 G63 G65 S295
Binding residue
(residue number reindexed from 1)		Y12 A13 G15 G17 S247
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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:0022857 transmembrane transporter activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006836 neurotransmitter transport
GO:0006865 amino acid transport
GO:0007268 chemical synaptic transmission
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:0051936 gamma-aminobutyric acid reuptake
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:0150104 transport across blood-brain barrier
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:7y7w, PDBe:7y7w, PDBj:7y7w
PDBsum7y7w
PubMed37400655
UniProtP30531|SC6A1_HUMAN Sodium- and chloride-dependent GABA transporter 1 (Gene Name=SLC6A1)

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