Structure of PDB 6bau Chain A Binding Site BS01

Receptor Information
>6bau Chain A (length=408) 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
TAIVAKTE
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain6bau Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bau Structural characterisation reveals insights into substrate recognition by the glutamine transporter ASCT2/SLC1A5.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		S278 M311 T314 A353 G354 V355 G359 D394 C397 T398 N401
Binding residue
(residue number reindexed from 1)		S270 M303 T306 A345 G346 V347 G351 D386 C389 T390 N393
Annotation score2
Binding affinityPDBbind-CN: -logKd/Ki=4.51,Kd=31uM
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:6bau, PDBe:6bau, PDBj:6bau
PDBsum6bau
PubMed29295993
UniProtO59010|GLT_PYRHO Glutamate transporter homolog (Gene Name=PH1295)

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