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Structure of PDB 7sx3 Chain A Binding Site BS02

Receptor Information >7sx3 Chain A (length=1386) 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 HMWAPVVAIYFILYHLFATLILLSLFVAVILDNLELDEDLKKLKQLKQSP LRLRIFEKFPNRPQMVKISKLPSDFTVPKIRESFMKQFIDRVFSIRARNL LEKETAVTKILRACTRQRMLSMKRKVQEEELRENHPYFDKPLFIVGREHR FRNFCRVVVRARFHQLYDLLGLVTYLDWVMIIVTICSCISMMFESPFRRV MHAPTLQIAEYVFVIFMSIELNLKIMADGLFFTPTAVIRDFGGVMDIFIY LVSLIFLCWMPQNVPAESGAQLLMVLRCLRPLRIFKLVPQMRKVVRELFS GFKEIFLVSILLLTLMLVFASFGVQLFAGKLAKCNDPNIIRREDCNGIFR INVSVSKNLNLKLRPGEKKPGFWVPRVWANPRNFNFDNVGNAMLALFEVL SLKGWVEVRDVIIHRVGPIHGIYIHVFVFLGCMIGLTLFVGVVIANFNEN KGTALLTVDQRRWEDLKSRLKIAQPLHLPPRPDNDGFRAKMYDITQHPFF KRTIALLVLAQSVLLSVKWDVEDPVTVPLATMSVVFTFIFVLEVTMKIIA MSPAGFWQSRRNRYDLLVTSLGVVWVVLHFALLNAYTYMMGACVIVFRFF SICGKHVTLKMLLLTVVVSMYKSFFIIVGMFLLLLCYAFAGVVLFGTVKY GENINRHANFSSAGKAITVLFRIVTGEDWNKIMHDCMVQPPFCTPDEFTY WATDCGNYAGALMYFCSFYVIIAYIMLNLLVAIIVENFSLFYSTEEDQLL SYNDLRHFQIIWNMVDDKREGVIPTFRVKFLLRLLRGRLEVDLDKDKLLF KHMCYEMERLHNGGDVTFHDVLSMLSYRSVDIRKSLQLEELLAREQLEYT IEEEVAKQTIRMWLKKCLKRIRAKQQQSCSIIHSLR

Ligand information Ligand ID Y01 InChI InChI=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 InChIKey WLNARFZDISHUGS-MIXBDBMTSA-N SMILES Software SMILES CACTVS 3.352 CC(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 1.6.1 CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C OpenEye OEToolkits 1.6.1 CC(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 3.352 CC(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 Formula C31 H50 O4 Name CHOLESTEROL HEMISUCCINATE ChEMBL DrugBank ZINC ZINC000058638837 PDB chain 7sx3 Chain A Residue 2110 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 7sx3 Structural architecture of the human NALCN channelosome. Resolution 3.1 Å Binding residue (original residue number in PDB) M55 H63 Y64 Binding residue (residue number reindexed from 1) M23 H31 Y32 Annotation score 1

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

View graph for Biological Process

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