Structure of PDB 7c1y Chain B Binding Site BS02

Receptor Information
>7c1y Chain B (length=347) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEPVIIGALILDVHAKPSTTPISGTTVPGQVLFAPGGVARNVADCIFKLG
ITPFMIGTLGLDGPANVLLKEWKLSMKGILRREDISTPIVSLVYDTNGEV
AAGVAGVDAVENFLTPEWIQRFEYNISSARLLMVDANLSSLALEASCKLA
AESSVPVWFEPVSVTKSQRIASIAKYVTIVSPNQDELIAMANALCAKNLF
HPFRENKLSIEDMFRALKPAILVLLKNGVKVVIVTLGSNGALLCSKGNPK
KALNIDRVQSVCSPSLFAMHFPTIPAKVKKLTGAGDCLVGGTVASLSDGL
DLIQSLAVGIASAKAAVESDDNVPPEFKLDLISGDAELVYNGAKMLM
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 chain7c1y Chain B Residue 403 [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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PDB7c1y Structural basis for the substrate specificity and catalytic features of pseudouridine kinase from Arabidopsis thaliana.
Resolution2.08343 Å
Binding residue
(original residue number in PDB)		T237 G239 G242 T298 A301 G310
Binding residue
(residue number reindexed from 1)		T235 G237 G240 T273 A276 G285
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.83: pseudouridine kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0016310 phosphorylation
Cellular Component
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7c1y, PDBe:7c1y, PDBj:7c1y
PDBsum7c1y
PubMed33290549
UniProtQ94AT3|PUKI_ARATH Pseudouridine kinase (Gene Name=PUKI)

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