Structure of PDB 6xiw Chain A Binding Site BS03
Receptor Information
>6xiw Chain A (length=1256) Species:
9606
(Homo sapiens) [
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INKPWVHSLLRICAIISVISVCMNTPMTFEHYPPLQYVTFTLDTLLMFLY
TAEMIAKMHWCVFDGFMVFCLWVSLVLQVFEIADIVDQMSPWGMLRIPRP
LIMIRAFRIYFRFELPRTRITNILKRSGEQIWSVSIFLLFFLLLYGILGV
QMFGTFTYHCVVNDTKPGNVTWNSLAIPDTHCSPELEEGYQCPPGFKCMD
LEDLGLSRQELGYSGFNEIGTSIFTVYEAASQEGWVFLMYRAIDSFPRWR
SYFYFITLIFFLAWLVKNVFIAVIIETFAEIRVQFQQMACLQKMMRSSVF
HMFILSMVTVDVIVAASNYYKGENFRRQYDEFYLAEVAFTVLFDLEALLK
IWCLGFTGYISSSLHKFELLLVIGTTLHVYPDLYHSQFTYFQVLRVVRLI
KISPALEDFVYKIFGPGKKLGSLVVFTASLLIVMSAISLQMFCFVEELDR
FTTFPRAFMSMFQILTQEGWVDVMDQTLNAVGHMWAPVVAIYFILYHLFA
TLILLSLFVAVILDNLELDEDLKKLKQLKQSRFRNFCRVVVRARFHQLYD
LLGLVTYLDWVMIIVTICSCISMMFESPFRRVMHAPTLQIAEYVFVIFMS
IELNLKIMADGLFFTPTAVIRDFGGVMDIFIYLVSLIFLCWMPQNVPAES
GAQLLMVLRCLRPLRIFKLVPQMRKVVRELFSGFKEIFLVSILLLTLMLV
FASFGVQLFAGKLAKCNDPNIIRREDCNGIFRINVSVSKNLNLKLRPGEK
KPGFWVPRVWANPRNFNFDNVGNAMLALFEVLSLKGWVEVRDVIIHRVGP
IHGIYIHVFVFLGCMIGLTLFVGVVIANFNENKGTALLTVDQRRWEDLKS
RLKIAQPLHLPPRPDNDGFRAKMYDITQHPFFKRTIALLVLAQSVLLSVK
WDVEDPVTVPLATMSVVFTFIFVLEVTMKIIAMSPAGFWQSRRNRYDLLV
TSLGVVWVVLHFALLNAYTYMMGACVIVFRFFSICGKHVTLKMLLLTVVV
SMYKSFFIIVGMFLLLLCYAFAGVVLFGTVKYGENINRHANFSSAGKAIT
VLFRIVTGEDWNKIMHDCMVQPPFCTPDEFTYWATDCGNYAGALMYFCSF
YVIIAYIMLNLLVAIIVENFSLFYSTEEDQLLSYNDLRHFQIIWNMVDDK
REGVIPTFRVKFLLRLLRGRLEVDLDKDKLLFKHMCYEMERLHNGGDVTF
HDVLSMLSYRSVDIRKSLQLEELLAREQLEYTIEEEVAKQTIQSCSIIHS
LRESQQ
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
6xiw Chain A Residue 1812 [
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Receptor-Ligand Complex Structure
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PDB
6xiw
Structure of the human sodium leak channel NALCN.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
Y923 I927
Binding residue
(residue number reindexed from 1)
Y593 I597
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:0006811
monoatomic ion transport
GO:0006814
sodium ion transport
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:6xiw
,
PDBe:6xiw
,
PDBj:6xiw
PDBsum
6xiw
PubMed
32698188
UniProt
Q8IZF0
|NALCN_HUMAN Sodium leak channel NALCN (Gene Name=NALCN)
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