Structure of PDB 5uiv Chain A Binding Site BS01

Receptor Information
>5uiv Chain A (length=225) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSARGQLILIEGLDRSGKSTQASILSTKLSPSKLIKFPDRSTPIGKLINE
YLTNKSFTLSDQAAHLLFSANRWELSQQIQDLLNQGYFIILDRYIYSGIA
YTLAKNDFHDETISQGKNKQQLNNIDWLLSPDKGLPKPDLTLFLTLDLEE
ISKRKGWGDERYELQQFQAKVKQCFLEILDTNKDPTIRIVDVGGKTIDQV
TTQLWEIIETNKNHELINDSIQFIT
Ligand information
Ligand IDTMP
InChIInChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyGYOZYWVXFNDGLU-XLPZGREQSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O
FormulaC10 H15 N2 O8 P
NameTHYMIDINE-5'-PHOSPHATE
ChEMBLCHEMBL394429
DrugBankDB01643
ZINCZINC000001678872
PDB chain5uiv Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uiv The Structure of Thymidylate Kinase from Candida albicans Reveals a Unique Structural Element.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		K35 F36 P37 R39 L51 F67 R71 R92 S96 G97 Y100 Y161
Binding residue
(residue number reindexed from 1)		K36 F37 P38 R40 L52 F68 R72 R93 S97 G98 Y101 Y162
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.4.9: dTMP kinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004550 nucleoside diphosphate kinase activity
GO:0004798 thymidylate kinase activity
GO:0005524 ATP binding
GO:0009041 UMP/dUMP kinase activity
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006227 dUDP biosynthetic process
GO:0006233 dTDP biosynthetic process
GO:0006235 dTTP biosynthetic process
GO:0016310 phosphorylation
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5uiv, PDBe:5uiv, PDBj:5uiv
PDBsum5uiv
PubMed28742342
UniProtQ59TV7

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