Structure of PDB 8by2 Chain B Binding Site BS04

Receptor Information
>8by2 Chain B (length=546) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDSHTLIQALIYLGSAALIVPIAVRLGLGSVLGYLIAGCIIGPWGLRLVT
DAESILHFAEIGVVLMLFIIGLELDPQRLWKLRAAVFGGGALQMVICGGL
LGLFCMLLGLRWQVAELIGMTLALSSTAIAMQAMNERNLMVTQMGRSAFA
VLLFQDIAAIPLVAMIPLLATSSASTTMGAFALSALKVAGALVLVVLLGR
YVTRPALRFVARSGLREVFSAVALFLVFGFGLLLEEVGLSMAMGAFLAGV
LLASSEYRHALESDIEPFKGLLLGLFFIGVGMSIDFGTLLENPLRIVILL
LGFLIIKIAMLWLIARPLQVPNKQRRWFAVLLGQGSEFAFVVFGAAQMAN
VLEPEWAKSLTLAVALSMAATPILLVILNRLEQSSPRVIIAGFGRFGQIT
GRLLLSSGVKMVVLDHDPDHIETLRKFGMKVFYGDATRMDLLESAGAAKA
EVLINAIDDPQTNLQLTEMVKEHFPHLQIIARARDVDHYIRLRQAGVEKP
ERETFEGALKTGRLALESLGLGPYEARERADVFRRFNIQMVEEMAM
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain8by2 Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8by2 Structure and mechanism of the K+/H+ exchanger KefC
Resolution3.18 Å
Binding residue
(original residue number in PDB)		R409 Q412
Binding residue
(residue number reindexed from 1)		R395 Q398
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005515 protein binding
GO:0008324 monoatomic cation transmembrane transporter activity
GO:0015079 potassium ion transmembrane transporter activity
GO:0015297 antiporter activity
GO:0015503 glutathione-regulated potassium exporter activity
GO:0015643 toxic substance binding
GO:0019899 enzyme binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006812 monoatomic cation transport
GO:0006813 potassium ion transport
GO:0006885 regulation of pH
GO:0009636 response to toxic substance
GO:0042542 response to hydrogen peroxide
GO:0051453 regulation of intracellular pH
GO:0051454 intracellular pH elevation
GO:0051595 response to methylglyoxal
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:1903103 potassium:proton antiporter complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8by2, PDBe:8by2, PDBj:8by2
PDBsum8by2
PubMed38834573
UniProtP03819|KEFC_ECOLI Glutathione-regulated potassium-efflux system protein KefC (Gene Name=kefC)

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