Structure of PDB 6x17 Chain C Binding Site BS01

Receptor Information
>6x17 Chain C (length=415) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLYRKYIEYPVLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFV
RLLKMLVMPIVFASLVVGAASISPARLGRVGVKIVVYYLLTSAFAVTLGI
IMARLFNPGAGIHLAVGGQQFQPHQAPPLVHILLDIVPTNPFGALANGQV
LPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGV
MQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLL
KIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSF
TLPLGATINMDGTALYQGVCTFFIANALGSHLTVGQQLTIVLTAVLASIG
TAGVPGAGAIMLAMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVN
VTGDLTGTAIVAKTE
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain6x17 Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6x17 Large domain movements through the lipid bilayer mediate substrate release and inhibition of glutamate transporters.
Resolution3.66 Å
Binding residue
(original residue number in PDB)		Y7 L53 K196 G200
Binding residue
(residue number reindexed from 1)		Y6 L52 K195 G199
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:6x17, PDBe:6x17, PDBj:6x17
PDBsum6x17
PubMed33155546
UniProtO59010|GLT_PYRHO Glutamate transporter homolog (Gene Name=PH1295)

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