Structure of PDB 6u9v Chain B Binding Site BS06

Receptor Information
>6u9v Chain B (length=560) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CCSWNDVFQYETNKVTRIQSVNYGTIKWILHMTVFSYVSFALMSDKLYQR
KEPLISSVHTKVKGVAEVTENVTKLVHGIFDTADYTLPLQGNSFFVMTNY
LKSEGQEQKLCPEYPSRGKQCHSDQGCIKGWMDPQSKGIQTGRCIPYDQK
RKTCEIFAWCPAEEGKEAPRPALLRSAENFTVLIKNNIDFPGHNYTTRNI
LPGMNISCTFHKTWNPQCPIFRLGDIFQEIGENFTEVAVQGGIMGIEIYW
DCNLDSWSHRCQPKYSFRRLDDKYTNESLFPGYNFRYAKYYKENGMEKRT
LIKAFGVRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLATVCIDLIINTY
ASTCCRSRVYPSCKCCEPCAVNEYYYRKKCEPIVEPKPTLKYVSFVDEPH
IWMVDQQLLGKSLQDVKGQEVPRPQTDFLELSRLSRDSPDWCQCGNCLPS
QLPENRRALEELCCRRKPGQCITTSELFSKIVLSREALQLLLLYQEPLLA
LEGEAINSKLRHCAYRSYATWRFVSQDMADFAILPSCCRWKIRKEFPKTQ
GQYSGFKYPY
Ligand information
Ligand IDQ3G
InChIInChI=1S/C40H78NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h36-37H,3-35,41H2,1-2H3,(H,44,45)(H,46,47)/t36-,37+/m0/s1
InChIKeyWZFUPCSEUKNOBF-PQQNNWGCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC
ACDLabs 12.01C(CCCCCCCCC)CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(O)=O)N)OC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OC[C@@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC
FormulaC40 H78 N O10 P
NameO-[(R)-[(2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-D-serine
ChEMBL
DrugBank
ZINC
PDB chain6u9v Chain B Residue 711 [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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PDB6u9v Full-Length P2X7Structures Reveal How Palmitoylation Prevents Channel Desensitization.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F38 L341 F344
Binding residue
(residue number reindexed from 1)		F35 L333 F336
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0001530 lipopolysaccharide binding
GO:0001614 purinergic nucleotide receptor activity
GO:0004931 extracellularly ATP-gated monoatomic cation channel activity
GO:0005102 signaling receptor binding
GO:0005216 monoatomic ion channel activity
GO:0005507 copper ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0015267 channel activity
GO:0038023 signaling receptor activity
GO:0042802 identical protein binding
GO:0043539 protein serine/threonine kinase activator activity
GO:0097110 scaffold protein binding
Biological Process
GO:0000165 MAPK cascade
GO:0000902 cell morphogenesis
GO:0001845 phagolysosome assembly
GO:0001913 T cell mediated cytotoxicity
GO:0001916 positive regulation of T cell mediated cytotoxicity
GO:0002028 regulation of sodium ion transport
GO:0006509 membrane protein ectodomain proteolysis
GO:0006649 phospholipid transfer to membrane
GO:0006811 monoatomic ion transport
GO:0006812 monoatomic cation transport
GO:0006816 calcium ion transport
GO:0006884 cell volume homeostasis
GO:0006900 vesicle budding from membrane
GO:0006954 inflammatory response
GO:0007005 mitochondrion organization
GO:0007009 plasma membrane organization
GO:0007166 cell surface receptor signaling pathway
GO:0009306 protein secretion
GO:0009410 response to xenobiotic stimulus
GO:0009612 response to mechanical stimulus
GO:0009617 response to bacterium
GO:0010043 response to zinc ion
GO:0010467 gene expression
GO:0010524 positive regulation of calcium ion transport into cytosol
GO:0010628 positive regulation of gene expression
GO:0012501 programmed cell death
GO:0014047 glutamate secretion
GO:0014049 positive regulation of glutamate secretion
GO:0014051 gamma-aminobutyric acid secretion
GO:0014054 positive regulation of gamma-aminobutyric acid secretion
GO:0014070 response to organic cyclic compound
GO:0016079 synaptic vesicle exocytosis
GO:0016485 protein processing
GO:0017121 plasma membrane phospholipid scrambling
GO:0019228 neuronal action potential
GO:0019233 sensory perception of pain
GO:0030163 protein catabolic process
GO:0030501 positive regulation of bone mineralization
GO:0032060 bleb assembly
GO:0032308 positive regulation of prostaglandin secretion
GO:0032310 prostaglandin secretion
GO:0032496 response to lipopolysaccharide
GO:0032730 positive regulation of interleukin-1 alpha production
GO:0032731 positive regulation of interleukin-1 beta production
GO:0032755 positive regulation of interleukin-6 production
GO:0032963 collagen metabolic process
GO:0033198 response to ATP
GO:0034220 monoatomic ion transmembrane transport
GO:0034405 response to fluid shear stress
GO:0034767 positive regulation of monoatomic ion transmembrane transport
GO:0035590 purinergic nucleotide receptor signaling pathway
GO:0042098 T cell proliferation
GO:0043029 T cell homeostasis
GO:0043065 positive regulation of apoptotic process
GO:0043132 NAD transport
GO:0043409 negative regulation of MAPK cascade
GO:0043410 positive regulation of MAPK cascade
GO:0045332 phospholipid translocation
GO:0045778 positive regulation of ossification
GO:0045779 negative regulation of bone resorption
GO:0045794 negative regulation of cell volume
GO:0045821 positive regulation of glycolytic process
GO:0046513 ceramide biosynthetic process
GO:0046931 pore complex assembly
GO:0048705 skeletal system morphogenesis
GO:0048873 homeostasis of number of cells within a tissue
GO:0050714 positive regulation of protein secretion
GO:0050830 defense response to Gram-positive bacterium
GO:0051209 release of sequestered calcium ion into cytosol
GO:0051495 positive regulation of cytoskeleton organization
GO:0051592 response to calcium ion
GO:0051602 response to electrical stimulus
GO:0051649 establishment of localization in cell
GO:0051882 mitochondrial depolarization
GO:0051899 membrane depolarization
GO:0051901 positive regulation of mitochondrial depolarization
GO:0060079 excitatory postsynaptic potential
GO:0060907 positive regulation of macrophage cytokine production
GO:0070227 lymphocyte apoptotic process
GO:0070230 positive regulation of lymphocyte apoptotic process
GO:0070231 T cell apoptotic process
GO:0070234 positive regulation of T cell apoptotic process
GO:0070588 calcium ion transmembrane transport
GO:0071359 cellular response to dsRNA
GO:0071407 cellular response to organic cyclic compound
GO:0072593 reactive oxygen species metabolic process
GO:0097190 apoptotic signaling pathway
GO:0097191 extrinsic apoptotic signaling pathway
GO:0098655 monoatomic cation transmembrane transport
GO:0099161 regulation of presynaptic dense core granule exocytosis
GO:1904172 positive regulation of bleb assembly
GO:1904669 ATP export
Cellular Component
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005886 plasma membrane
GO:0005911 cell-cell junction
GO:0009897 external side of plasma membrane
GO:0016020 membrane
GO:0031594 neuromuscular junction
GO:0032059 bleb
GO:0032991 protein-containing complex
GO:0043025 neuronal cell body
GO:0043195 terminal bouton
GO:0045202 synapse
GO:0098794 postsynapse

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6u9v, PDBe:6u9v, PDBj:6u9v
PDBsum6u9v
PubMed31587896
UniProtQ64663|P2RX7_RAT P2X purinoceptor 7 (Gene Name=P2rx7)

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