Structure of PDB 7mbv Chain D Binding Site BS05

Receptor Information
>7mbv Chain D (length=996) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLGDIDFTGVSRTRGKFVRVTSSTDPAEIYQILTKQWGLAPPHLVVALMG
GDEVAQLKPWLRDTLRKGLVKAAQSTGAWILTSGLRFGITKNLGQAVRDH
SLASTSPKVRVVAIGIAPWNMIQNRDLLLSAKPDHPATYPTEDLPYGAVY
SLDCNHSHFILVDEDPKRPGATGEMRVKMLKHISLQRTGYGGTGSIEIPV
LCLLVHGEPRILQKMYKNIQNSIPWLILAGSGGVADILVTLMDRGCWDAD
IVQELLINTFPDGLHSTEITSWTKLIQRILDHGHLLTVHDPEQDSELDTV
ILKALVKACKSQSQEAQDFLDELKLAVAWNRVDIAKSEIFSGDVQWSAQD
LEEVMMEALVNDKPDFVRLFVDNGVNIKQFLTYGRLQELYCSVSEKNLLH
TLLLKKNQERQAQLKFRFTFHEVSKVLKDFLDDTCKGFYQKLNLPDMDRR
CEHPWRDLFLWAILQNRQEMANYFWAMGPEAVAAALVGCKIMKEMAHLAT
EAESARSMKNAKYEQFAMDLFSECYSNSEDRAYSLLVRKTCCWSKATVLN
IATLAEAKCFFAHDGVQALLTKVWWGAMRTDTSISRLVLTFFIPPLVWTS
LIKFNPESATFIRVVLRRWNRFWSAPVTVFMGNVIMYFAFLILFSYVLLL
DFRPPPPYGPSAAEIILYFWVFTLVLEEIRQSFFTDEDMSILKKMKLYVE
DNWNKCDMVAISLFVVGLSCRMAMSTYEAGRTVLALDFMVFTLRLIHIFA
IHKQLGPKIIIVERMIKDVFFFLFFLSVWLIAYGVTTQALLHPNDPRIDW
VFRRALYRPYLHIFGQIPLEEIDAAKMPDDNCTTDVQEIILGTLPPCPNI
YANWLVILLLVIYLLVTNVLLLNLLIAMFSYTFQVVQENADIFWKFQRYN
LIVEYHSRPALAPPFIIISHITQALLSFIKDLLERELPSGLDQKLMTWET
VQKENYLAKLEHEHRESSGERLRYTSSKVQTLLRMVGGFKDQEKRM
Ligand information
Ligand IDYUS
InChIInChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+
InChIKeyMMJUJYOIYOJEPL-HYARGMPZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)C=NNC(=O)Cc2cccc3c2cccc3
CACTVS 3.385COc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1OC
CACTVS 3.385COc1ccc(\C=N\NC(=O)Cc2cccc3ccccc23)cc1OC
ACDLabs 12.01COc1cc(ccc1OC)\C=N\NC(=O)Cc1cccc2ccccc21
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3
FormulaC21 H20 N2 O3
NameN'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
ChEMBLCHEMBL5196998
DrugBank
ZINCZINC000000037521
PDB chain7mbv Chain D Residue 3005 [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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PDB7mbv Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		W793 I836 I849 V852 E853
Binding residue
(residue number reindexed from 1)		W703 I746 I759 V762 E763
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005227 calcium-activated cation channel activity
GO:0005262 calcium channel activity
GO:0005509 calcium ion binding
GO:0042802 identical protein binding
GO:0099604 ligand-gated calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0019722 calcium-mediated signaling
GO:0034220 monoatomic ion transmembrane transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
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:7mbv, PDBe:7mbv, PDBj:7mbv
PDBsum7mbv
PubMed34168372
UniProtS5UH55

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