Structure of PDB 7cu3 Chain A Binding Site BS12

Receptor Information

>7cu3 Chain A (length=1277) Species: 10116 (Rattus norvegicus)

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 ID: CLR
• InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
  CACTVS 3.341: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
  ACDLabs 10.04: OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
  OpenEye OEToolkits 1.5.0: 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)O)C)C
  CACTVS 3.341: CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
• Formula: C27 H46 O
• Name: CHOLESTEROL
• ChEMBL: CHEMBL112570
• DrugBank: DB04540
• ZINC: ZINC000003875383
• PDB chain: 7cu3 Chain A Residue 2017

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7cu3 Structure of voltage-modulated sodium-selective NALCN-FAM155A channel complex.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): Y415 P467
• Binding residue (residue number reindexed from 1): Y339 P391
• Annotation score: 1

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

External links

• PDB: RCSB:7cu3, PDBe:7cu3, PDBj:7cu3
• PDBsum: 7cu3
• PubMed: 33273469
• UniProt: Q6Q760|NALCN_RAT Sodium leak channel NALCN (Gene Name=Nalcn)