Structure of PDB 7c1y Chain B Binding Site BS01

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 IDFJF
InChIInChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
InChIKeyPTJWIQPHWPFNBW-GBNDHIKLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O
OpenEye OEToolkits 2.0.7C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CO)O)O
OpenEye OEToolkits 2.0.7C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.385OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C2=CNC(=O)NC2=O
FormulaC9 H12 N2 O6
Name5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione
ChEMBLCHEMBL3144027
DrugBank
ZINCZINC000004095788
PDB chain7c1y Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		I10 D12 G37 V38 N41 N137 K166 G308 D311
Binding residue
(residue number reindexed from 1)		I10 D12 G37 V38 N41 N137 K166 G283 D286
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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