Structure of PDB 8juv Chain A Binding Site BS01

Receptor Information
>8juv Chain A (length=288) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRRFSYGQLAAATNSFDQGNVIGSSNLSTVYKGVLGGMVVAVKRLNLEQF
PSKSDKCFLTELATLSRLRHKNLARVVGYAWEAGKIKALVLDYMVNGDLD
GAIHPSRWTVRERLRVCVSVAHGLVYLHSGYDFPVVHCAVKPSNVLLDGD
WEARVSDFGTARMLGSSAFRGTVGYMAPEFAYMRTVSTKVDVFSFGVLAM
ELFTGRRPTGTIEEDGVPLTLQQLVDNAVSRGLDGVHAVLDPRMKVATEA
DLSTAADVLAVALSCAAFEPADRPDMGAVLSSLLKMSK
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 chain8juv Chain A Residue 601 [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]
PDB8juv An active State Formation Mechanism of Receptor Kinase in Plant
Resolution2.09 Å
Binding residue
(original residue number in PDB)		I24 G25 S27 S30 V32 A48 K50 M101 D105 S159 L162 D173
Binding residue
(residue number reindexed from 1)		I22 G23 S25 S28 V30 A41 K43 M94 D98 S143 L146 D157
Annotation score5
Enzymatic activity
Enzyme Commision number 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8juv, PDBe:8juv, PDBj:8juv
PDBsum8juv
PubMed
UniProtQ0JA29|FLS2_ORYSJ LRR receptor-like serine/threonine-protein kinase FLS2 (Gene Name=FLS2)

[Back to BioLiP]