Structure of PDB 7sx4 Chain A Binding Site BS02

Receptor Information
>7sx4 Chain A (length=1383) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INKPWVHSLLRICAIISVISVCMNTPMTFEHYPPLQYVTFTLDTLLMFLY
TAEMIAKMHWCVFDGFMVFCLWVSLVLQVFEIADIVDQMSPWGMLRIPRP
LIMIRAFRIYFRFELPRTRITNILKRSGEQIWSVSIFLLFFLLLYGILGV
QMFGTFTYHCVVNDTKPGNVTWNSLAIPDTHCSPELEEGYQCPPGFKCMD
LEDLGLSRQELGYSGFNEIGTSIFTVYEAASQEGWVFLMYRAIDSFPRWR
SYFYFITLIFFLAWLVKNVFIAVIIETFAEIRVQFQQMTTQMFHEDAAGG
WQLVAVACLQKMMRSSVFHMFILSMVTVDVIVAASNYYKGENFRRQYDEF
YLAEVAFTVLFDLEALLKIWCLGFTGYISSSLHKFELLLVIGTTLHVYPD
LYHSQFTYFQVLRVVRLIKISPALEDFVYKIFGPGKKLGSLVVFTASLLI
VMSAISLQMFCFVEELDRFTTFPRAFMSMFQILTQEGWVDVMDQTLNAVG
HMWAPVVAIYFILYHLFATLILLSLFVAVILDNLELDEDLKKLKQLKQPL
RLRIFEKFPNRPQMVKISKLPSDFTVPKIRESFMKQFIDRVFSIRARNLL
EKETAVTKILRACTRQRMLSMKRKVQEEELRENHPYFDKPLFIVGREHRF
RNFCRVVVRARFHQLYDLLGLVTYLDWVMIIVTICSCISMMFESPFRRVM
HAPTLQIAEYVFVIFMSIELNLKIMADGLFFTPTAVIRDFGGVMDIFIYL
VSLIFLCWMPQNVPAESGAQLLMVLRCLRPLRIFKLVPQMRKVVRELFSG
FKEIFLVSILLLTLMLVFASFGVQLFAGKLAKCNDPNIIRREDCNGIFRI
NVSVSKNLNLKLRPGEKKPGFWVPRVWANPRNFNFDNVGNAMLALFEVLS
LKGWVEVRDVIIHRVGPIHGIYIHVFVFLGCMIGLTLFVGVVIANFNENK
GTALLTVDQRRWEDLKSRLKIAQPLHLPPRPDNDGFRAKMYDITQHPFFK
RTIALLVLAQSVLLSVKWDVEDPVTVPLATMSVVFTFIFVLEVTMKIIAM
SPAGFWQSRRNRYDLLVTSLGVVWVVLHFALLNAYTYMMGACVIVFRFFS
ICGKHVTLKMLLLTVVVSMYKSFFIIVGMFLLLLCYAFAGVVLFGTVKYG
ENINRHANFSSAGKAITVLFRIVTGEDWNKIMHDCMVQPPFCTPDEFTYW
ATDCGNYAGALMYFCSFYVIIAYIMLNLLVAIIVENFSLFYSTEEDQLLS
YNDLRHFQIIWNMVDDKREGVIPTFRVKFLLRLLRGRLEVDLDKDKLLFK
HMCYEMERLHNGGDVTFHDVLSMLSYRSVDIRKSLQLEELLAREQLEYTI
EEEVAKQTIRMWLKKCLKRIRAKQQQSCSIIHS
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7sx4 Chain A Residue 2106 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7sx4 Structural architecture of the human NALCN channelosome.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		C54 H63 F540
Binding residue
(residue number reindexed from 1)		C22 H31 F472
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005248 voltage-gated sodium channel activity
GO:0005261 monoatomic cation channel activity
GO:0005272 sodium channel activity
GO:0005515 protein binding
GO:0022840 leak channel activity
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0008218 bioluminescence
GO:0032224 positive regulation of synaptic transmission, cholinergic
GO:0032230 positive regulation of synaptic transmission, GABAergic
GO:0034220 monoatomic ion transmembrane transport
GO:0035725 sodium ion transmembrane transport
GO:0055085 transmembrane transport
GO:0060075 regulation of resting membrane potential
GO:0070588 calcium ion transmembrane transport
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7sx4, PDBe:7sx4, PDBj:7sx4
PDBsum7sx4
PubMed34929720
UniProtQ8IZF0|NALCN_HUMAN Sodium leak channel NALCN (Gene Name=NALCN)

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