Structure of PDB 6ctf Chain B Binding Site BS01

Receptor Information
>6ctf Chain B (length=411) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYIEYPVLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLC
MLVMPIVFASLVVGAASISPARLGRVGVKIVVYYLLTSAFAVTLGIIMAR
LFNPGAGIHLAVGGQQFQPHQAPPLVHILLDIVPTNPFGALANGQVLPTI
FFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYA
PIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYG
IDPISFIKHAKDAMLTAFVTSSSSGTLPVTMRVAKEMGISEGIYSFTLPL
GATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGV
PGAGAIMLCMVLHSVGLPLTDPNVAAAYAMILGIDAILDRGRTMVNVTGD
LTGTAIVAKTE
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 chain6ctf Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ctf Kinetic mechanism of coupled binding in sodium-aspartate symporter GltPh.
Resolution4.05 Å
Binding residue
(original residue number in PDB)		S276 S277 S278 M311 T314 G354 A358 G359 D394 R397 T398 N401
Binding residue
(residue number reindexed from 1)		S271 S272 S273 M306 T309 G349 A353 G354 D389 R392 T393 N396
Annotation score3
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:6ctf, PDBe:6ctf, PDBj:6ctf
PDBsum6ctf
PubMed30255846
UniProtO59010|GLT_PYRHO Glutamate transporter homolog (Gene Name=PH1295)

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