Structure of PDB 9b90 Chain C Binding Site BS03

Receptor Information
>9b90 Chain C (length=982) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQSWIPKIFKKKTCTTFIVTLCQCGRPRTAHPAVATVWDSDAHTTEKPTD
AYGELDFTGAGRKHSNFLRLSDRTDPAAVYSLVTRTWGFRAPNLVVSVLG
GSGGPVLQTWLQDLLRRGLVRAAQSTGAWIVTGGLHTGIGRHVGVAVRDH
QMASKVVAMGVAPWGVVRNRDTLINPKGSFPARYRWRGDPEDGVQFPLDY
NYSAFFLVDDGTHGCLGGENRFRLRLESYISQQKTGVGGTGIDIPVLLLL
IDGDEKMLTRIENATQAQLPCLLVAGSGGAADCLAETLEQGEARDRIRRF
FPKGDLEVLQAQVERIMTRKELLTVYSSEDGSEEFETIVLKALVKACGSS
EASAYLDELRLAVAWNRVDIAQSELFRGDIQWRSFHLEASLMDALLNDRP
EFVRLLISHGLSLGHFLTPMRLAQLYSAAPSNSLIRNLLDQAPPDVGHVL
RMLLGKMAPWSDLLLWALLLNRAQMAMYFWEMGSNAVSSALGACLLLRVM
ARLEPDAEEAARRKDLAFKFEGMGVDLFGECYRSSEVRAARLLLRRCPLW
GDATCLQLAMQADARAFFAQDGVQSLLTQKWWGDMASTTPIWALVLAFFC
PPLIYTRLITFRRCLRRWFHFWGAPVTIFMGNVVSYLLFLLLFSRVLLVD
FQPAPPGSLELLLYFWAFTLLCEELRQGLSGSLSQRLRLYLADSWNQCDL
VALTCFLLGVGCRLTPGLYHLGRTVLCIDFMVFTVRLLHIFTVNKQLGPK
IVIVSKMMKDVFFFLFFLGVWLVAYGVATEGLLRPRDSDFPSILRRVFYR
PYLQIFGQIPQEDMDVALMEHSNCSSEPGFWAHPPGAQAGTCVSQYANWL
VVLLLVIFLLVANILLVNLLIAMFSYTFGKVQGNSDLYWKAQRYRLIREF
HSRPALAPPFIVISHLRLLKEAERKLLTWESVHKENFLLARARDKRESDS
ERLKRTSQKVDLALKQLGHIREYEQRLKVLER
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain9b90 Chain C Residue 2003 [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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PDB9b90 Physiological Temperature Drives TRPM4 Ligand Recognition and Gating
Resolution3.4 Å
Binding residue
(original residue number in PDB)		H159 R214 L225 D226 Y227
Binding residue
(residue number reindexed from 1)		H136 R187 L198 D199 Y200
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:0005272 sodium channel activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0005524 ATP binding
GO:0046872 metal ion binding
GO:0099604 ligand-gated calcium channel activity
Biological Process
GO:0002250 adaptive immune response
GO:0002407 dendritic cell chemotaxis
GO:0002724 regulation of T cell cytokine production
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0008284 positive regulation of cell population proliferation
GO:0010460 positive regulation of heart rate
GO:0016925 protein sumoylation
GO:0019722 calcium-mediated signaling
GO:0030502 negative regulation of bone mineralization
GO:0034220 monoatomic ion transmembrane transport
GO:0035774 positive regulation of insulin secretion involved in cellular response to glucose stimulus
GO:0045600 positive regulation of fat cell differentiation
GO:0045668 negative regulation of osteoblast differentiation
GO:0045907 positive regulation of vasoconstriction
GO:0051289 protein homotetramerization
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0071318 cellular response to ATP
GO:0086045 membrane depolarization during AV node cell action potential
GO:0086047 membrane depolarization during Purkinje myocyte cell action potential
GO:0086048 membrane depolarization during bundle of His cell action potential
GO:0086091 regulation of heart rate by cardiac conduction
GO:0090263 positive regulation of canonical Wnt signaling pathway
GO:0098662 inorganic cation transmembrane transport
GO:0098719 sodium ion import across plasma membrane
GO:0098911 regulation of ventricular cardiac muscle cell action potential
GO:1903949 positive regulation of atrial cardiac muscle cell action potential
GO:1904179 positive regulation of adipose tissue development
GO:1904199 positive regulation of regulation of vascular associated smooth muscle cell membrane depolarization
Cellular Component
GO:0005654 nucleoplasm
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034706 sodium channel complex
GO:0043025 neuronal cell body

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:9b90, PDBe:9b90, PDBj:9b90
PDBsum9b90
PubMed38750366
UniProtQ8TD43|TRPM4_HUMAN Transient receptor potential cation channel subfamily M member 4 (Gene Name=TRPM4)

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