Structure of PDB 5bkk Chain G Binding Site BS01

Receptor Information
>5bkk Chain G (length=317) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATRILLLVLAVIIYGTAGFHFIEGESWTVSLYWTFVTIATVGYGDYSPST
PLGMYFTVTLIVLGIGTFAVAVERLLEFLINREQMKLMGLIDVAKSRHVV
ICGWSESTLECLRELRGSEVFVLAEDENVRKKVLRSGANFVHGDPTRVSD
LEKANVRGARAVIVDLESDSETIHCILGIRKIDESVRIIAEAERYENIEQ
LRMAGADQVISPFVISGRLMSRSIDDGYEAMFVQDVLAEESTRRMVEVPI
PEGSKLEGVSVLDADIHDVTGVIIIGVGRGDELIIDPPRDYSFRAGDIIL
GIGKPEEIERLKNYISA
Ligand information
Ligand IDYQ4
InChIInChI=1S/C26H40NO/c1-4-7-19-27(20-8-5-2,21-9-6-3)22-23-15-17-25(18-16-23)26(28)24-13-11-10-12-14-24/h10-18,26,28H,4-9,19-22H2,1-3H3/t26-/m1/s1
InChIKeyDQUWSYFZBXCPSD-AREMUKBSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)C(c2ccccc2)O
CACTVS 3.385CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[CH](O)c2ccccc2
CACTVS 3.385CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[C@H](O)c2ccccc2
OpenEye OEToolkits 2.0.7CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[C@@H](c2ccccc2)O
FormulaC26 H40 N O
Name(~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol
ChEMBL
DrugBank
ZINC
PDB chain5bkk Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5bkk Calcium-gated potassium channel blockade via membrane-facing fenestrations.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		A58 T59
Binding residue
(residue number reindexed from 1)		A39 T40
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008324 monoatomic cation transmembrane transporter activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006813 potassium ion transport
GO:0034220 monoatomic ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5bkk, PDBe:5bkk, PDBj:5bkk
PDBsum5bkk
PubMed37653172
UniProtO27564|MTHK_METTH Calcium-gated potassium channel MthK (Gene Name=mthK)

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