Structure of PDB 7vtf Chain B Binding Site BS01

Receptor Information
>7vtf Chain B (length=302) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDYVVIIGSANIDVAGYSHLNYADSNPGKIKFTPGGVGRNIAQNLALLGN
KAWLLSAVGSDFYGQSLLTQTNQSGVYVDKCLIVPGENTSSYLSLLDNEM
LVAINDMNISNAITAEYLAQHREFIQRAKVIVADCNISEEALAWILDNAA
NVPVFVDPVSAWKCVKVRDRLNQIHTLKPNRLEAETLSGIALSGRDDVAK
VAAWFHQHGLNRLVLSMGGDGVYYSDIRGENGWSAPIKTNVINVTGAGDA
MMAGLASCWVDGMPFAESVRFAQGCSSMALSCEYTNNPDLSIANVISLVE
NA
Ligand information
Ligand IDCTN
InChIInChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKeyUHDGCWIWMRVCDJ-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
FormulaC9 H13 N3 O5
Name4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE;
CYTIDINE
ChEMBLCHEMBL95606
DrugBankDB02097
ZINCZINC000002583632
PDB chain7vtf Chain B Residue 401 [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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PDB7vtf Substrate-binding loop interactions with pseudouridine trigger conformational changes that promote catalytic efficiency of pseudouridine kinase PUKI.
Resolution2.20203 Å
Binding residue
(original residue number in PDB)		N14 D16 G41 V42 M114 N143
Binding residue
(residue number reindexed from 1)		N11 D13 G36 V37 M107 N136
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.83: pseudouridine kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0050225 pseudouridine kinase activity
Biological Process
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7vtf, PDBe:7vtf, PDBj:7vtf
PDBsum7vtf
PubMed35346685
UniProtP30235|PSUK_ECOLI Pseudouridine kinase (Gene Name=psuK)

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