Structure of PDB 1ukz Chain A Binding Site BS02

Receptor Information
>1ukz 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 IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1ukz Chain A Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ukz Substrate specificity and assembly of the catalytic center derived from two structures of ligated uridylate kinase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L51 R52 I70 Q74 I75 V76 T81 G104 R107 Q111 R148
Binding residue
(residue number reindexed from 1)		L43 R44 I62 Q66 I67 V68 T73 G96 R99 Q103 R140
Annotation score4
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:1ukz, PDBe:1ukz, PDBj:1ukz
PDBsum1ukz
PubMed7877173
UniProtP15700|KCY_YEAST Uridylate kinase (Gene Name=URA6)

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