Structure of PDB 4x2s Chain A Binding Site BS01

Receptor Information
>4x2s Chain A (length=405) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLKMLVMPI
VFASLVVGAASISPARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGA
GIHLAVGGQQFQPHQAPPLVHILLDIVPTNPFGALANGQVLPTIFFAIIL
GIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFA
LIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISF
IKHAKDAMLTAFVTSSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINM
DGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAI
MLAMVLHSVGLPLTDPNVAAAYAMILGIDAILDRGRTMVNVTGDLTGTAI
VAKTE
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 chain4x2s Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4x2s Transport domain unlocking sets the uptake rate of an aspartate transporter.
Resolution4.21 Å
Binding residue
(original residue number in PDB)		S276 S277 S278 T314 G354 V355 P356 G357 A358 G359 R397 T398
Binding residue
(residue number reindexed from 1)		S265 S266 S267 T303 G343 V344 P345 G346 A347 G348 R386 T387
Annotation score3
Binding affinityPDBbind-CN: -logKd/Ki=6.55,Kd=285nM
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
View graph for
Cellular Component
External links
PDB RCSB:4x2s, PDBe:4x2s, PDBj:4x2s
PDBsum4x2s
PubMed25652997
UniProtO59010|GLT_PYRHO Glutamate transporter homolog (Gene Name=PH1295)

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