Structure of PDB 6bav Chain A Binding Site BS01

Receptor Information
>6bav Chain A (length=409) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYPVLQKILIGLILGAIVGLILGHYGYADAVKTYVKPFGDLFVRLLKMLV
MPIVFASLVVGAASISPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFN
PGAGIHLAVGGQQFQPKQAPPLVKILLDIVPTNPFGALANGQVLPTIFFA
IILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIG
VFALIAYVMAEQGVKVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDP
ISFIKKAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGAT
INMDGTALYQGVCTFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGA
GAIMLAMVLESVGLPLTDPNVAAAYAMILGIDAILDMGCTMVNVTGDLTG
TAIVAKTEG
Ligand information
Ligand IDBCS
InChIInChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyGHBAYRBVXCRIHT-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CSCc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](CSCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CSCC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)CSC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CSCc1ccccc1
FormulaC10 H13 N O2 S
NameBENZYLCYSTEINE
ChEMBLCHEMBL63130
DrugBankDB04531
ZINCZINC000000404298
PDB chain6bav 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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PDB6bav Structural characterisation reveals insights into substrate recognition by the glutamine transporter ASCT2/SLC1A5.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		R276 S278 T314 Y317 D390 D394 C397 T398
Binding residue
(residue number reindexed from 1)		R268 S270 T306 Y309 D382 D386 C389 T390
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005283 amino acid:sodium symporter activity
GO:0015108 chloride transmembrane transporter activity
GO:0015183 L-aspartate transmembrane transporter activity
GO:0015293 symporter activity
GO:0015501 glutamate:sodium symporter activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006865 amino acid transport
GO:0035725 sodium ion transmembrane transport
GO:0046942 carboxylic acid transport
GO:0070207 protein homotrimerization
GO:0070778 L-aspartate transmembrane transport
GO:0140009 L-aspartate import across plasma membrane
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0005886 plasma membrane
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:6bav, PDBe:6bav, PDBj:6bav
PDBsum6bav
PubMed29295993
UniProtO59010|GLT_PYRHO Glutamate transporter homolog (Gene Name=PH1295)

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