Bifunctional coenzyme A synthase (CoA synthase) Structure Main
Domain Specific Information
DPCK:
In human COASY Superfamily hmm predicts it to be in Region: 359-549.
Lies within the Nucleotide and nucleoside kinases family.
PPAT:
In human COASY Superfamily hmm predicts it to be in Region: 196-343.
Lies within the Cytidylyltransferase family.
Coenzyme A Synthase PHD Functional Site Prediction
Human Sequence:
Pattern-ID: ASN_GLYCOSYLATION PS00001 PDOC00001
Pattern-DE: N-glycosylation site
Pattern: N[^P][ST][^P]
Position: 34 NHTL
Pattern-ID: GLYCOSAMINOGLYCAN PS00002 PDOC00002
Pattern-DE: Glycosaminoglycan attachment site
Pattern: SG.G
Position: 367 SGSG
Pattern-ID: PKC_PHOSPHO_SITE PS00005 PDOC00005
Pattern-DE: Protein kinase C phosphorylation site
Pattern: [ST].[RK]
Position: 173 TIR
Position: 183 SPK
Position: 245 TER
Position: 291 TYR
Position: 335 SFR
Position: 369 SGK
Position: 541 TQR
Pattern-ID: CK2_PHOSPHO_SITE PS00006 PDOC00006
Pattern-DE: Casein kinase II phosphorylation site
Pattern: [ST].{2}[DE]
Position: 324 TENE
Position: 534 TLWE
Pattern-ID: MYRISTYL PS00008 PDOC00008
Pattern-DE: N-myristoylation site
Pattern: G[^EDRKHPFYW].{2}[STAGCN][^P]
Position: 194 GAVGGT
Position: 277 GSDPSL
Position: 295 GMAINR
Position: 365 GISGSG
Position: 505 GLSEAA
Pattern-ID: AMIDATION PS00009 PDOC00009
Pattern-DE: Amidation site
Pattern: .G[RK][RK]
Position: 462 EGKR
Pattern-ID: ATP_GTP_A PS00017 PDOC00017
Pattern-DE: ATP/GTP-binding site motif A (P-loop)
Pattern: [AG].{4}GK[ST]
Position: 365 GISGSGKS
Pattern-ID: UPF0038 PS01294 PDOC00996
Pattern-DE: Uncharacterized protein family UPF0038 signature
Pattern: G.[LI].R.{2}L.{4}F.{8}[LIV].{5}P.[LIV]
Position: 419 GIINRKVLGSRVFGNKKQLKILTDIMWPII
Mouse Sequence:
Pattern-ID: GLYCOSAMINOGLYCAN PS00002 PDOC00002
Pattern-DE: Glycosaminoglycan attachment site
Pattern: SG.G
Position: 84 SGSG
Pattern-ID: PKC_PHOSPHO_SITE PS00005 PDOC00005
Pattern-DE: Protein kinase C phosphorylation site
Pattern: [ST].[RK]
Position: 3 SDK
Position: 52 SFR
Position: 86 SGK
Pattern-ID: CK2_PHOSPHO_SITE PS00006 PDOC00006
Pattern-DE: Casein kinase II phosphorylation site
Pattern: [ST].{2}[DE]
Position: 39 SHNE
Position: 251 TLWE
Position: 260 SQVE
Pattern-ID: MYRISTYL PS00008 PDOC00008
Pattern-DE: N-myristoylation site
Pattern: G[^EDRKHPFYW].{2}[STAGCN][^P]
Position: 82 GISGSG
Position: 222 GLSEAA
Pattern-ID: ATP_GTP_A PS00017 PDOC00017
Pattern-DE: ATP/GTP-binding site motif A (P-loop)
Pattern: [AG].{4}GK[ST]
Position: 82 GISGSGKS
Pattern-ID: UPF0038 PS01294 PDOC00996
Pattern-DE: Uncharacterized protein family UPF0038 signature
Pattern: G.[LI].R.{2}L.{4}F.{8}[LIV].{5}P.[LIV]
Position: 136 GTINRKVLGSRVFGNKKQMKILTDIVWPVI
PDB: 2F6R:A Mus. musculus structural feature alignment of structurally related proteins (blue = more conserved).
Predicted Ligand Binding Sites and Pockets
Predicted binding sites of ligands for Coenzyme A Synthase in mus musculus
Predicted binding sites of ligands for Coenzyme A Synthase cphmodels predicted human structure
Predicted pocket for ACO (based on location) on Coenzyme A Synthase mouse
Predicted pocket for UNL (based on location) on Coenzyme A Synthase mouse
Coenzyme A Synthase Atomic structures (Mouse):
Coenzyme A Synthase atomic structure by bfactor (flexibility as denoted by crystalography; red is more flexible, blue is more structurally stable)
Coenzyme A Synthase atomic structure
Coenzyme A Synthase Ribbon structures (Mouse):
Coenzyme A ribbon structure with water molecules
Coenzyme A Synthase ribbon structure by hydrophobicity
Coenzyme A Synthase ribbon structure by compound type
Coenzyme A Synthase ribbon structure by conformation/structural type
Binding Sites and types for AcetylCoenzymeA ligand to CoenzymeA Synthase (Mouse):
Hydrophilic binding sites
Hydrophobic binding sites
Bridged H bond binding sites
Other binding sites
Binding Sites and types for unknown ligand UNL to CoenzymeA Synthase (Mouse):
Hydrophilic binding sites
Bridged H bond binding sites
Other binding sites
Highly Structurally Related Proteins:
Thymidylate Kinase: Nucleoside monophosphate kinase. Catalyses reversible phosphorylation transfer between ATP & TMP > ADP & TDP. Activates Anti HIV prodrugs.
Shikimate Kinase: Target for nontoxic antimicrobial agents, herbicides and parasite drugs. Absent in mammals. Catalyses reaction of phosphoryltransfer from ATP to shikimic acid.
Adenylate Kinase: Nucleoside monophosphate kinase. Essential for bacterial survival. AMP(bd) domain close to core of structure. Low catalytic activity compared to eukaryotic kinases (10 fold slower).
Dephospho-COA Kinase: Uses ATP as phosphate donor in phosphorylation of 3-hydroxy group of ribose (final stages of biosynthesis). ATP binds in p-loop (as it does in other kinases). COA binding site located at join of all 3 domains.
UMP/CMP kinase: Supplies precursors for nucleic acid synthesis. Catalyses UMP,CMP & dCMP into diphosphate form. Component of nucleoside analog prodrugs (AraC, gemcitabine & ddC).
Uridine-Cystidine Kinase: Catalyses phosphorylation of uridine & cystidine. Upon cystidine binding UCK becomes strictly specific to pyramidine ribnucleotides.
