Structure of PDB 3l9x Chain B Binding Site BS01

Receptor Information
>3l9x Chain B (length=336) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVIIAGFGRFGQITGRLLLSSGVKMVVLDHDPDHIETLRKFGMKVFYGD
ATRMDLLESAGAAKAEVLINAIDDPQTNLQLTEMVKEHFPHLQIIARARD
VDHYIRLRQAGVEKPERETFEGALKTGRLALESLGLGPYEARERADVFRR
FNIQMVEEMAMVMILIIYAHPYPHHSHANKRMLEQARTLEGVEIRSLYQL
YPDFNIDIAAEQEALSRADLIVWQHPMQWYSIPPLLKLWIDKVFSHGWAY
GHGGTALHGKHLLWAVTTGGGESHFEIGAHPGFDVLSQPLQATAIYCGLN
WLPPFAMHCTFICDDETLEGQARHYKQRLLEWQEAH
Ligand information
Ligand IDESG
InChIInChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
InChIKeyQCPAUAAIPLHRLB-GUBZILKMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
CACTVS 3.352CCN1C(=O)C[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C1=O
OpenEye OEToolkits 1.7.0CCN1C(=O)CC(C1=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
CACTVS 3.352CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O
FormulaC16 H24 N4 O8 S
NameL-gamma-glutamyl-S-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
ChEMBL
DrugBank
ZINCZINC000103540716
PDB chain3l9x Chain B Residue 1177 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l9x Mechanism of ligand-gated potassium efflux in bacterial pathogens.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R498 D499 V500 R516
Binding residue
(residue number reindexed from 1)		R99 D100 V101 R117
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G1107 F1113 H1118
Catalytic site (residue number reindexed from 1) G269 F275 H280
Enzyme Commision number ?
1.6.5.2: NAD(P)H dehydrogenase (quinone).
Gene Ontology
Molecular Function
GO:0003955 NAD(P)H dehydrogenase (quinone) activity
GO:0005515 protein binding
GO:0008753 NADPH dehydrogenase (quinone) activity
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0015079 potassium ion transmembrane transporter activity
GO:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
Biological Process
GO:0006813 potassium ion transport
GO:0032414 positive regulation of ion transmembrane transporter activity
GO:0051453 regulation of intracellular pH
GO:0051454 intracellular pH elevation
GO:1901381 positive regulation of potassium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:1903103 potassium:proton antiporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3l9x, PDBe:3l9x, PDBj:3l9x
PDBsum3l9x
PubMed21041667
UniProtP03819|KEFC_ECOLI Glutathione-regulated potassium-efflux system protein KefC (Gene Name=kefC);
P0A754

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