Structure of PDB 7b05 Chain B Binding Site BS01

Receptor Information
>7b05 Chain B (length=645) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSTQEKSYLSAVEKGDYASVKLALEEAEIYFKININCIDPLGRTALLIAI
ENENLEIIELLLSFNVYVGDALLHAIRKEVVGAVELLLNHQFSDFTPDIT
PIILAAHTNNYEIIKMLVQKGVSVPQPHEVVDSLRHSRSRLNIYKALASP
SLIALSSEDPFLTAFQLSWELQELSKVENEFKAEYEELSHQCKHFAKDLL
DQTRSSRELELILNFRNELARLKLAIKYRQKEFVAQPNCQQLLASRWYDE
RHWAGKLITCVFIGLMFPLLSLCYLVAPKSRYGLFIRKPFIKFICHTASY
LTFLFLLLLASQHIVSNNPDRQGPKPTTVEWMILPWVLGFIWTEIKQMWD
GGFQDYIHDWWNLMDFVMNSLYLATISLKIVAYVKYSGCKPRDTWEMWHP
TLVAEAVFAIANIFSSLRLISLFTANSHLGPLQISLGRMLLDILKFLFIY
CLVLLAFANGLNQLYFYYENSEGMTCKGIRCERQNNAFSTLFETLQSLFW
SIFGLISLYVTNVKADHKFTEFVGATMFGTYNVISLVVLLNMLIAMMNNS
YQHIADHADIEWKFARTKLWMSYFEEGGTLPPPFNIAENVRLNHQYQEVL
RNLVKRYVAAMIRDAKTEEGLTEENFKELKQDISSFRYEVIGMMK
Ligand information
Ligand IDSJQ
InChIInChI=1S/C15H19ClF2N4O2/c16-13-11(7-19-20-14(13)24)21-5-6-22(12(23)9-21)8-10-1-3-15(17,18)4-2-10/h7,10H,1-6,8-9H2,(H,20,24)
InChIKeyGVYMARZIBMLWCR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC(CCC1CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)(F)F
CACTVS 3.385FC1(F)CCC(CC1)CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3
FormulaC15 H19 Cl F2 N4 O2
Name4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{H}-pyridazin-6-one
ChEMBL
DrugBank
ZINC
PDB chain7b05 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b05 Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		Y373 F413 D438 M441 N442 S488 R491 L495
Binding residue
(residue number reindexed from 1)		Y300 F340 D365 M368 N369 S415 R418 L422
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0015279 store-operated calcium channel activity
GO:0070679 inositol 1,4,5 trisphosphate binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006812 monoatomic cation transport
GO:0051480 regulation of cytosolic calcium ion concentration
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034703 cation channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7b05, PDBe:7b05, PDBj:7b05
PDBsum7b05
PubMed33236980
UniProtU3N7D8

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