Structure of PDB 7ctx Chain B Binding Site BS01

Receptor Information
>7ctx Chain B (length=299) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSIFSPLIKKAEDLAFLENEEALASLEIIGEVFKAELPGSNGKIIAVKK
VIQPPKDADERQIRSEINTVGHIRHRNLLPLLAHVSRPECHYLVYEYMEK
GSLQDILTDVQAGNQELMWPARHKIALGIAAGLEYLHMDHNPRIIHRDLK
PANVLLDDDMEARISDFGLAKAMPDAVTHITTSHVAGTVGYIAPEFYQTH
KFTDKCDIYSFGVILGILVIGKLPSDEFFQHTDEMSLIKWMRNIITSENP
SLAIDPKLMDQGFDEQMLLVLKIACYCTLDDPKQRPNSKDVRTMLSQIK
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 chain7ctx Chain B Residue 701 [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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PDB7ctx Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain(residues 388-401 deleted) in complex with AMP-PNP and magnesium
Resolution2.907 Å
Binding residue
(original residue number in PDB)		I353 V361 K377 E437 Y438 M439 D489 K491 N494
Binding residue
(residue number reindexed from 1)		I30 V33 K49 E96 Y97 M98 D148 K150 N153
Annotation score3
Enzymatic activity
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ctx, PDBe:7ctx, PDBj:7ctx
PDBsum7ctx
PubMed
UniProtQ9SKB2|SBIR1_ARATH Leucine-rich repeat receptor-like serine/threonine/tyrosine-protein kinase SOBIR1 (Gene Name=SOBIR1)

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