Structure of PDB 2nwx Chain B Binding Site BS01

Receptor Information
>2nwx Chain B (length=396) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLKMLVMPI
VFASLVVGAASISPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGA
GIHLAVGPPLVHILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMN
SENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQ
GVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAML
TAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGV
CTFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLAMVLHSV
GLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE
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 chain2nwx Chain A Residue 426 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nwx Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter.
Resolution3.29 Å
Binding residue
(original residue number in PDB)		R276 S278 G354 V355 P356 G357 G359 D394 R397 T398 N401
Binding residue
(residue number reindexed from 1)		R256 S258 G334 V335 P336 G337 G339 D374 R377 T378 N381
Annotation score3
Binding affinityBindingDB: Kd=1.000000nM
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:2nwx, PDBe:2nwx, PDBj:2nwx
PDBsum2nwx
PubMed17230192
UniProtO59010|GLT_PYRHO Glutamate transporter homolog (Gene Name=PH1295)

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