Structure of PDB 8u3g Chain A Binding Site BS01

Receptor Information
>8u3g Chain A (length=427) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSARYNLAILAFFGFFIVYALRVNLSVALVDMVDSTGKKYQWDAETQGWI
LGSFFYGYIITQIPGGYVASKIGGKMLLGFGILGTAVLTLFTPIAADLGV
GPLIVLRALEGLGEGVTFPAMHAMWSSWAPPLERSKLLSISYAGAQLGTV
ISLPLSGIICYYMNWTYVFYFFGTIGIFWFLLWIWLVSDTPQKHKRISHY
EKEYILSSLRNQLSSQKSVPWVPILKSLPLWAIVVAHFSYNWTFYTLLTL
LPTYMKEILRFNVQENGFLSSLPYLGSWLCMILSGQAADNLRAKWNFSTL
CVRRIFSLIGMIGPAVFLVAAGFIGCDYSLAVAFLTISTTLGGFCSSGFS
INHLDIAPSYAGILLGITNTFATIPGMVGPVIAKSLTPDNTVGEWQTVFY
IAAAINVFGAIFFTLFAKGEVQNWALN
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 chain8u3g Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u3g Structure of NAAG-bound Sialin
Resolution3.42 Å
Binding residue
(original residue number in PDB)		F50 Y54 F179
Binding residue
(residue number reindexed from 1)		F15 Y19 F118
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005351 carbohydrate:proton symporter activity
GO:0015136 sialic acid transmembrane transporter activity
GO:0015293 symporter activity
GO:0015538 sialic acid:proton symporter activity
GO:0022857 transmembrane transporter activity
GO:0042880 D-glucuronate transmembrane transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006820 monoatomic anion transport
GO:0006865 amino acid transport
GO:0009617 response to bacterium
GO:0015739 sialic acid transport
GO:0034219 carbohydrate transmembrane transport
GO:0042874 D-glucuronate transmembrane transport
GO:0098700 neurotransmitter loading into synaptic vesicle
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0030672 synaptic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0045202 synapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8u3g, PDBe:8u3g, PDBj:8u3g
PDBsum8u3g
PubMed
UniProtQ9NRA2|S17A5_HUMAN Sialin (Gene Name=SLC17A5)

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