Structure of PDB 1uky Chain A Binding Site BS01

Receptor Information
>1uky Chain A (length=196) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAFSPDQVSVIFVLGGPGAGKGTQCEKLVKDYSFVHLSAGDLLRAEQGRA
GSQYGELIKNCIKEGQIVPQEITLALLRNAISDNVKANKHKFLIDGFPRK
MDQAISFERDIVESKFILFFDCPEDIMLERLLERGKTSGRSDDNIESIKK
RFNTFKETSMPVIEYFETKSKVVRVRCDRSVEDVYKDVQDAIRDSL
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 chain1uky Chain A Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uky Substrate specificity and assembly of the catalytic center derived from two structures of ligated uridylate kinase.
Resolution2.13 Å
Binding residue
(original residue number in PDB)		G26 G28 K29 G30 T31 R138 R142 V189
Binding residue
(residue number reindexed from 1)		G18 G20 K21 G22 T23 R130 R134 V181
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K29 R107 R142 R148 R159
Catalytic site (residue number reindexed from 1) K21 R99 R134 R140 R151
Enzyme Commision number 2.7.4.14: UMP/CMP kinase.
Gene Ontology
Molecular Function
GO:0004017 adenylate kinase activity
GO:0004127 (d)CMP kinase activity
GO:0005524 ATP binding
GO:0009041 UMP/dUMP kinase activity
GO:0016301 kinase activity
GO:0019205 nucleobase-containing compound kinase activity
GO:0033862 UMP kinase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006225 UDP biosynthetic process
GO:0016310 phosphorylation
GO:0046705 CDP biosynthetic process
GO:0046940 nucleoside monophosphate phosphorylation
GO:0072528 pyrimidine-containing compound biosynthetic process
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:1uky, PDBe:1uky, PDBj:1uky
PDBsum1uky
PubMed7877173
UniProtP15700|KCY_YEAST Uridylate kinase (Gene Name=URA6)

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