Structure of PDB 7d4p Chain D Binding Site BS01

Receptor Information
>7d4p Chain D (length=669) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIPLQIVRAETELSAEEKAFLNAVEKGDYATVKQALQEAEIYYNVNINCM
DPLGRSALLIAIENENLEIMELLLNHSVYVGDALLYAIRKEVVGAVELLL
SYTQFSEFTPDITPIMLAAHTNNYEIIKLLVQKRVTIPRPHQIRCNCVEC
VSSSEVDSLRHSRSRLNIYKALASPSLIALSSEDPILTAFRLGWELKELS
KVENEFKAEYEELSQQCKLFAKDLLDQARSSRELEIILNHRDDLAKLKVA
IKYHQKEFVAQPNCQQLLATLWYDGFPGWRRKHWVVKLLTCMTIGFLFPM
LSIAYLISPRSNLGLFIKKPFIKFICHTASYLTFLFMLLLASQDLHVQGP
PPTVVEWMILPWVLGFIWGEIKEMWDGGFTEYIHDWWNLMDFAMNSLYLA
TISLKIVAYVKYNGSRPREEWEMWHPTLIAEALFAISNILSSLRLISLFT
ANSHLGPLQISLGRMLLDILKFLFIYCLVLLAFANGLNQLYFYYETRAID
EPNNCKGIRCEKQNNAFSTLFETLQSLFWSVFGLLNLYVTNVKARHEFTE
FVGATMFGTYNVISLVVLLNMLIAMMNNSYQLIADHADIEWKFARTKLWM
SYFDEGGTLPPPFNIISLIQNQHYQEVIRNLVKRYVAAMIRNSKTTEENF
KELKQDISSFRYEVLDLLG
Ligand information
Ligand IDYZY
InChIInChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1
InChIKeyDOZKMFVMCATMEH-OZKTZCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC
ACDLabs 12.01O=C(OC(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCCCCCC
FormulaC37 H70 O5
Name(2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000040164793
PDB chain7d4p Chain A Residue 807 [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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PDB7d4p Structural basis for human TRPC5 channel inhibition by two distinct inhibitors.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F599 V610
Binding residue
(residue number reindexed from 1)		F551 V562
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005262 calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7d4p, PDBe:7d4p, PDBj:7d4p
PDBsum7d4p
PubMed33683200
UniProtQ9UL62|TRPC5_HUMAN Short transient receptor potential channel 5 (Gene Name=TRPC5)

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