Structure of PDB 5lpb Chain A Binding Site BS01

Receptor Information
>5lpb Chain A (length=284) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLRKLAFADLLQATNGFHNDSLIGSGGFGDVYKAILKDGSAVAIKKLIHV
SGQGDREFMAEMETIGKIKHRNLVPLLGYCKVGDERLLVYEFMKYGSLED
VLHDPGVKLNWSTRRKIAIGSARGLAFLHHNCSPHIIHRDMKSSNVLLDE
NLEARVSDFGMARLMSAMDTHLSVSTLAGTPGYVPPEYYQSFRCSTKGDV
YSYGVVLLELLTGKRPTDNLVGWVKQHAKLRISDVFDPELMKEDPALEIE
LLQHLKVAVACLDDRAWRRPTMVQVMAMFKEIQA
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5lpb Chain A Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lpb Crystal structures of the phosphorylated BRI1 kinase domain and implications for brassinosteroid signal initiation.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		F894 A909 K911 F958 M959 L1016
Binding residue
(residue number reindexed from 1)		F28 A43 K45 F92 M93 L147
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D1009 K1011 S1013 N1014 D1027 M1037 T1049
Catalytic site (residue number reindexed from 1) D140 K142 S144 N145 D158 M168 T180
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5lpb, PDBe:5lpb, PDBj:5lpb
PDBsum5lpb
PubMed24461462
UniProtO22476|BRI1_ARATH Protein BRASSINOSTEROID INSENSITIVE 1 (Gene Name=BRI1)

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