Structure of PDB 7c1z Chain B Binding Site BS02

Receptor Information
>7c1z Chain B (length=355) 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
HPFENKLSIEDMFRALKPAILVLLKNGVKVVIVTLGSNGALLCSKGNPKK
ALNIDSGEVFKRVQSVCSPNRFSLFAMHFPTIPAKVKKLTGAGDCLVGGT
VASLSDGLDLIQSLAVGIASAKAAVESDDNVPPEFKLDLISGDAELVYNG
AKMLM
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7c1z Chain B Residue 404 [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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PDB7c1z Structural basis for the substrate specificity and catalytic features of pseudouridine kinase from Arabidopsis thaliana.
Resolution2.09617 Å
Binding residue
(original residue number in PDB)		N183 T237 G239 G242 T298 A309 G310 L313 A338
Binding residue
(residue number reindexed from 1)		N183 T234 G236 G239 T281 A292 G293 L296 A321
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:7c1z, PDBe:7c1z, PDBj:7c1z
PDBsum7c1z
PubMed33290549
UniProtQ94AT3|PUKI_ARATH Pseudouridine kinase (Gene Name=PUKI)

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