Structure of PDB 1aky Chain A Binding Site BS02

Receptor Information
>1aky Chain A (length=218) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESIRMVLIGPPGAGKGTQAPNLQERFHAAHLATGDMLRSQIAKGTQLGLE
AKKIMDQGGLVSDDIMVNMIKDELTNNPACKNGFILDGFPRTIPQAEKLD
QMLKEQGTPLEKAIELKVDDELLVARITGRLIHPASGRSYHKIFNPPKED
MKDDVTGEALVQRSDDNADALKKRLAAYHAQTEPIVDFYKKTGIWAGVDA
SQPPATVWADILNKLGKN
Ligand information
Ligand IDIMD
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
InChIKeyRAXXELZNTBOGNW-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1cc[nH+]c1
ACDLabs 10.04c1c[nH+]cn1
OpenEye OEToolkits 1.5.0c1c[nH+]c[nH]1
FormulaC3 H5 N2
NameIMIDAZOLE
ChEMBL
DrugBank
ZINC
PDB chain1aky Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1aky High-resolution structures of adenylate kinase from yeast ligated with inhibitor Ap5A, showing the pathway of phosphoryl transfer.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		G18 D89
Binding residue
(residue number reindexed from 1)		G16 D87
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K17 R93 R132 R165 R176
Catalytic site (residue number reindexed from 1) K15 R91 R130 R163 R174
Enzyme Commision number 2.7.4.3: adenylate kinase.
Gene Ontology
Molecular Function
GO:0003688 DNA replication origin binding
GO:0004017 adenylate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016776 phosphotransferase activity, phosphate group as acceptor
GO:0019205 nucleobase-containing compound kinase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006172 ADP biosynthetic process
GO:0006270 DNA replication initiation
GO:0009117 nucleotide metabolic process
GO:0016310 phosphorylation
GO:0036388 pre-replicative complex assembly
GO:0046033 AMP metabolic process
GO:0046034 ATP metabolic process
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1aky, PDBe:1aky, PDBj:1aky
PDBsum1aky
PubMed7670369
UniProtP07170|KAD2_YEAST Adenylate kinase (Gene Name=ADK1)

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