Structure of PDB 7cu3 Chain A Binding Site BS05

Receptor Information
>7cu3 Chain A (length=1277) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LWINKPWVHSLLRICAIISVISVCMNTPMTFEHYPPLQYVTFTLDTLLMF
LYTAEMIAKMHIRGIDRWCVFDGFMVFCLWVSLVLQVFEIADIVDQMSPW
GMLRIPRPLIMIRAFRIYFRFELPRTRITNILKRSGEQIWSVSIFLLFFL
LLYGILGVQMFGTFTYHCVVNDTKPGNVTWNSLAIPDTHCSPELEEGYQC
PPGFKCMDLEDLGLSRQELGYSGFNEIGTSIFTVYEASSQEGWVFLMYRA
IDSFPRWRSYFYFITLIFFLAWLVKNVFIAVIIETFAEIRVQFQQMWPAC
LQKMMRSSVFHMFILSMVTVDVIVAASNYYKGENFRRQYDEFYLAEVAFT
VLFDLEALLKIWCLGFTGYISSSLHKFELLLVIGTTLHVYPDLYHSQFTY
FQVLRVVRLIKISPALEDFVYKIFGPGKKLGSLVVFTASLLIVMSAISLQ
MFCFVEELDRFTTFPRAFMSMFQILTQEGWVDVMDQTLNAVGHMWAPLVA
IYFILYHLFATLILLSLFVAVILDNLELDEDLKKLKQLKQRSILSVQHHI
RQERREHRFRNFCRVVVRARFTKYHQLYDLLGLVTYLDWVMITVTICSCI
SMMFESPFRRVMHAPTLQIAEYVFVIFMSIELNLKIMADGLFFTPTAVIR
DFGGVMDIFIYLVSLIFLCWMPQNVPAESGAQLLMVLRCLRPLRIFKLVP
QMRKVVRELFSGFKEIFLVSILLLTLMLVFASFGVQLFAGKLAKCNDPNI
IRREDCNGIFRINVSVSKNLNLKLRPGEKKPGFWVPRVWANPRNFNFDNV
GNAMLALFEVLSLKGWVEVRDVIIHRVGPIHGIYIHVFVFLGCMIGLTLF
VGVVIANFNENKGTALLTVDQRRWEDLKSRLKIAQPLHLPPRPDNDGFRA
KMYDITQHPFFKRTIALLVLAQSVLLSVKWDVEDPVTVPLATMSVVFTFI
FVLEVTMKIIAMSPAGFWQSRRNRYDLLVTSLGVVWVVLHFALLNAYTYM
MGACVIVFRFFSICGKHVTLKMLLLTVVVSMYKSFFIIVGMFLLLLCYAF
AGVVLFGTVKYGENINRHANFSSAGKAITVLFRIVTGEDWNKIMHDCMVQ
PPFCTPDEFTYWATDCGNYAGALMYFCSFYVIIAYIMLNLLVAIIVENFS
LFYSTEEDQLLSYNDLRHFQIIWNMVDDKREGVIPTFRVKFLLRLLRGRL
EVDLDKDKLLFKHMCYEMERLHNGGDVTFHDVLSMLSYRSVDIRKSLQLE
ELLAREQLEYTIEEEVAKQTIRMWLKK
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain7cu3 Chain A Residue 2008 [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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PDB7cu3 Structure of voltage-modulated sodium-selective NALCN-FAM155A channel complex.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		I303 K1377 T1380
Binding residue
(residue number reindexed from 1)		I264 K1076 T1079
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:0022840 leak channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0008150 biological_process
GO:0030001 metal 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
GO:0098655 monoatomic cation 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
View graph for
Cellular Component
External links
PDB RCSB:7cu3, PDBe:7cu3, PDBj:7cu3
PDBsum7cu3
PubMed33273469
UniProtQ6Q760|NALCN_RAT Sodium leak channel NALCN (Gene Name=Nalcn)

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