Structure of PDB 5uv4 Chain A Binding Site BS01

Receptor Information
>5uv4 Chain A (length=290) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLHLFDNSVVFTAEELSCAPAEIIGRSCHGTSYKATLDNGYMLTVKWLKE
GFAKSKKEFSREIKKLGSVRHPNLVPLRGYYWGPKEHERIMISDYADATS
LSTYLSEFDERNLPPLSAGQRLNIAIDIARCLDYLHNERVIPHGNIKSSN
VLIQNSTPSALVTDYSLHRLMTPIGMAEQVLNAGALGYSPPEFSSTSKPC
PSLKSDVYAFGVILLELLTGKIAGEIICMVDLTDWVRMLDLEERVSECYD
RHIAPQALDGMLRIALRCIRSASERPEVRTVFEDLLSLSS
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 chain5uv4 Chain A Residue 1101 [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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PDB5uv4 Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP
Resolution2.3 Å
Binding residue
(original residue number in PDB)		I767 S770 H772 S775 K789 A841 S843 N888 K890 S892 N893 L895 D907
Binding residue
(residue number reindexed from 1)		I24 S27 H29 S32 K46 A98 S100 N145 K147 S149 N150 L152 D164
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5uv4, PDBe:5uv4, PDBj:5uv4
PDBsum5uv4
PubMed
UniProtK7VIQ3

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