Structure of PDB 7w5c Chain A Binding Site BS02

Receptor Information
>7w5c Chain A (length=355) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVATHGGSYVQYNVYGNLFEVSRKYVPPLRPIGRGAYGIVCAATNSETGE
EVAIKKIGNAFDNIIDAKRTLREIKLLKHMDHENVIAVKDIIKPPQRENF
NDVYIVYELMDTDLHQIIRSNQPLTDDHCRFFLYQLLRGLKYVHSANVLH
RDLKPSNLLLNANCDLKLGDFGLARTKSETDFMTEYVVTRWYRAPELLLN
CSEYTAAIDIWSVGCILGETMTREPLFPGKDYVHQLRLITELIGSPDDSS
LGFLRSDNARRYVRQLPQYPRQNFAARFPNMSAGAVDLLEKMLVFDPSRR
ITVDEALCHPYLAPLHDINEEPVCVRPFNFDFEQPTLTEENIKELIYRET
VKFNP
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain7w5c Chain A Residue 401 [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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PDB7w5c Essential role of the CD docking motif of MPK4 in plant immunity, growth, and development.
Resolution2.201 Å
Binding residue
(original residue number in PDB)		I49 G50 G52 A53 Y54 A70 K72 R86 M127 D130 K171 L176 D187
Binding residue
(residue number reindexed from 1)		I32 G33 G35 A36 Y37 A53 K55 R69 M110 D113 K154 L159 D170
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.11.24: mitogen-activated protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004707 MAP kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0000165 MAPK cascade
GO:0000911 cytokinesis by cell plate formation
GO:0006468 protein phosphorylation
GO:0006972 hyperosmotic response
GO:0007112 male meiosis cytokinesis
GO:0009409 response to cold
GO:0009555 pollen development
GO:0009620 response to fungus
GO:0009651 response to salt stress
GO:0009737 response to abscisic acid
GO:0009861 jasmonic acid and ethylene-dependent systemic resistance
GO:0009862 systemic acquired resistance, salicylic acid mediated signaling pathway
GO:0009868 jasmonic acid and ethylene-dependent systemic resistance, jasmonic acid mediated signaling pathway
GO:0010119 regulation of stomatal movement
GO:0016310 phosphorylation
GO:0042539 hypotonic salinity response
GO:0043622 cortical microtubule organization
GO:0045087 innate immune response
GO:0071244 cellular response to carbon dioxide
GO:0090333 regulation of stomatal closure
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0009504 cell plate

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7w5c, PDBe:7w5c, PDBj:7w5c
PDBsum7w5c
PubMed37243525
UniProtQ39024|MPK4_ARATH Mitogen-activated protein kinase 4 (Gene Name=MPK4)

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