Structure of PDB 2nwl Chain A Binding Site BS01

Receptor Information
>2nwl Chain A (length=402) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPVLIKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLKMLVM
PIVFASLVVGAASISPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNP
GAGIHLAVGGQQFPPLVHILLDIVPTNPFGALANGQVLPTIFFAIILGIA
ITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIA
YVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKH
AKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGT
ALYQGVCTFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLA
MVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAK
TE
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 chain2nwl 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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PDB2nwl Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		R276 S278 T314 T352 A353 G354 V355 G359 D394 R397 T398 N401
Binding residue
(residue number reindexed from 1)		R262 S264 T300 T338 A339 G340 V341 G345 D380 R383 T384 N387
Annotation score3
Binding affinityPDBbind-CN: -logKd/Ki=8.70,Kd=2nM
BindingDB: 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:2nwl, PDBe:2nwl, PDBj:2nwl
PDBsum2nwl
PubMed17230192
UniProtO59010|GLT_PYRHO Glutamate transporter homolog (Gene Name=PH1295)

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