Structure of PDB 5llm Chain A Binding Site BS01

Receptor Information
>5llm Chain A (length=399) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKEDVKSFLRRNALLLLTVLAVILGVVLGFLLRPYPLSPREVKYFAFPGE
LLMRMLKMLILPLIVSSLITGLASLDAKASGRLGMRAVVYYMSTTIIAVV
LGIILVLIIHPEVLDCFLDLARNIFPSNLVSAAFRSYSTTPVGQEVEGMN
ILGLVVFSMVFGFALGKMGEQGQLLVDFFNSLNEATMKLVAIIMWYAPLG
ILFLIAGKIVEGGQLGMYMVTVIVGLVIHGLIVLPLIYFLITRKNPFVFI
AGILQALITALGTSSSSATLPITFKCLEENNGVDKRITRFVLPVGATINM
DGTALYEAVAAIFIAQQIITISITATAASIGAAGIPQAGLVTMVIVLTAV
GLPTDDITLIIAVDWLLDRFRTMVNVLGDALGAGIVEHLSRKELEKQDA
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 chain5llm 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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PDB5llm Structure and allosteric inhibition of excitatory amino acid transporter 1.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		S344 S345 T382 G422 I423 A426 G427 D456 R459 T460 N463
Binding residue
(residue number reindexed from 1)		S265 S266 T303 G334 I335 A338 G339 D368 R371 T372 N375
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015293 symporter activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:5llm, PDBe:5llm, PDBj:5llm
PDBsum5llm
PubMed28424515
UniProtP43003;
Q15758|AAAT_HUMAN Neutral amino acid transporter B(0) (Gene Name=SLC1A5)

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