Structure of PDB 5llu Chain A Binding Site BS01

Receptor Information
>5llu Chain A (length=396) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDVKSFLRRNALLLLTVLAVILGVVLGFLLRPYPLSPREVKYFAFPGELL
MRMLKMLILPLIVSSLITGLASLDAKASGRLGMRAVVYYMSTTIIAVVLG
IILVLIIEVLDCFLDLARNIFPSNLVSAAFRSYSTTQEVEGMNILGLVVF
SIVFGIALGKMGEQGQLLVDFFNSLNEATMKLVAIIMWYAPLGILFLIAG
KIVELGMYMVTVIVGLVIHGLIVLPLIYFLITRKNPFVFIAGILQALITA
LGTSSSSATLPITFKCLEENNGVDKRITRFVLPVGATINMDGTALYEAVA
AIFIAQVNNGQIITISITATAASIGAAGIPQAGLVTMVIVLTAVGLPTDD
ITLIIAVDWLLDRFRTMVNVLGDALGAGIVEHLSRKELEKQDAELG
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain5llu Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5llu Structure and allosteric inhibition of excitatory amino acid transporter 1.
Resolution3.32 Å
Binding residue
(original residue number in PDB)		S343 S344 S345 T382 G422 I423 A426 G427 D456 R459 T460 N463
Binding residue
(residue number reindexed from 1)		S254 S255 S256 T293 G328 I329 A332 G333 D362 R365 T366 N369
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015293 symporter activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5llu, PDBe:5llu, PDBj:5llu
PDBsum5llu
PubMed28424515
UniProtP43003;
Q15758|AAAT_HUMAN Neutral amino acid transporter B(0) (Gene Name=SLC1A5)

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