Structure of PDB 9b91 Chain A Binding Site BS03

Receptor Information
>9b91 Chain A (length=993) 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
IDGDEKMLTRIENATQAQLPCLLVAGSGGAADCLAETLEDTLAPGSGGAR
QGEARDRIRRFFPKGDLEVLQAQVERIMTRKELLTVYSSEDGSEEFETIV
LKALVKACGSSEASAYLDELRLAVAWNRVDIAQSELFRGDIQWRSFHLEA
SLMDALLNDRPEFVRLLISHGLSLGHFLTPMRLAQLYSAAPSNSLIRNLL
DQAPPDVGHVLRMLLGKMAPWSDLLLWALLLNRAQMAMYFWEMGSNAVSS
ALGACLLLRVMARLEPDAEEAARRKDLAFKFEGMGVDLFGECYRSSEVRA
ARLLLRRCPLWGDATCLQLAMQADARAFFAQDGVQSLLTQKWWGDMASTT
PIWALVLAFFCPPLIYTRLITFRRCLRRWFHFWGAPVTIFMGNVVSYLLF
LLLFSRVLLVDFQPAPPGSLELLLYFWAFTLLCEELRQGLSGSLSQRLRL
YLADSWNQCDLVALTCFLLGVGCRLTPGLYHLGRTVLCIDFMVFTVRLLH
IFTVNKQLGPKIVIVSKMMKDVFFFLFFLGVWLVAYGVATEGLLRPRDSD
FPSILRRVFYRPYLQIFGQIPQEDMDVALMEHSNCSSEPGFWAHPPGAQA
GTCVSQYANWLVVLLLVIFLLVANILLVNLLIAMFSYTFGKVQGNSDLYW
KAQRYRLIREFHSRPALAPPFIVISHLRLLKEAERKLLTWESVHKENFLL
ARARDKRESDSERLKRTSQKVDLALKQLGHIREYEQRLKVLER
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 chain9b91 Chain A Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB9b91 Physiological Temperature Drives TRPM4 Ligand Recognition and Gating
Resolution3.3 Å
Binding residue
(original residue number in PDB)		H159 R214 Y227
Binding residue
(residue number reindexed from 1)		H136 R187 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:9b91, PDBe:9b91, PDBj:9b91
PDBsum9b91
PubMed38750366
UniProtQ8TD43|TRPM4_HUMAN Transient receptor potential cation channel subfamily M member 4 (Gene Name=TRPM4)

[Back to BioLiP]