Structure of PDB 5e9s Chain A Binding Site BS01

Receptor Information
>5e9s Chain A (length=427) Species: 311400 (Thermococcus kodakarensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLRRYLDYPVLWKILWGLVLGAVFGLIAGHFGYAGAVKTYIKPFGDLFVR
LLKMLVMPIVLASLVVGAASISPARLGRVGVKIVVYYLATSAMAVFFGLI
VGRLFNVGANVNLGSGTGKAIEAQPPSLVQTLLNIVPTNPFASLAKGEVL
PVIFFAIILGIAITYLMNRNEERVRKSAETLLRVFDGLAEAMYLIVGGVM
QYAPIGVFALIAYVMAEQGVRVVGPLAKVVGAVYTGLFLQIVITYFILLK
VFGIDPIKFIRKAKDAMITAFVTRSSSGTLPVTMRVAEEEMGVDKGIFSF
TLPLGATINMDGTALYQGVTVLFVANAIGHPLTLGQQLVVVLTAVLASIG
TAGVPGAGAIMLAMVLQSVGLDLTPGSPVALAYAMILGIDAILDMGRTMV
NVTGDLAGTVIVAKTEKELDESKWISH
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 chain5e9s Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5e9s Coupled binding mechanism of three sodium ions and aspartate in the glutamate transporter homologue GltTk.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R278 S279 S280 T317 G357 V358 A361 G362 D398 R401 T402
Binding residue
(residue number reindexed from 1)		R274 S275 S276 T313 G353 V354 A357 G358 D394 R397 T398
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015293 symporter activity
Biological Process
GO:0046942 carboxylic acid transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5e9s, PDBe:5e9s, PDBj:5e9s
PDBsum5e9s
PubMed27830699
UniProtQ5JID0

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