Bifunctional coenzyme A synthase (CoA synthase) Structure Main: Difference between revisions

From MDWiki
Jump to navigationJump to search
No edit summary
Line 1: Line 1:
=='''Coenzyme A Synthase PHD Functional Site Prediction'''==
--------------------------------------------------------
Pattern-ID: ASN_GLYCOSYLATION PS00001 PDOC00001
Pattern-DE: N-glycosylation site
Pattern: N[^P][ST][^P]
34 NHTL
Pattern-ID: GLYCOSAMINOGLYCAN PS00002 PDOC00002
Pattern-DE: Glycosaminoglycan attachment site
Pattern: SG.G
367 SGSG
Pattern-ID: PKC_PHOSPHO_SITE PS00005 PDOC00005
Pattern-DE: Protein kinase C phosphorylation site
Pattern: [ST].[RK]
173 TIR
183 SPK
245 TER
291 TYR
335 SFR
369 SGK
541 TQR
Pattern-ID: CK2_PHOSPHO_SITE PS00006 PDOC00006
Pattern-DE: Casein kinase II phosphorylation site
Pattern: [ST].{2}[DE]
324 TENE
534 TLWE
Pattern-ID: MYRISTYL PS00008 PDOC00008
Pattern-DE: N-myristoylation site
Pattern: G[^EDRKHPFYW].{2}[STAGCN][^P]
194 GAVGGT
277 GSDPSL
295 GMAINR
365 GISGSG
505 GLSEAA
Pattern-ID: AMIDATION PS00009 PDOC00009
Pattern-DE: Amidation site
Pattern: .G[RK][RK]
462 EGKR
Pattern-ID: ATP_GTP_A PS00017 PDOC00017
Pattern-DE: ATP/GTP-binding site motif A (P-loop)
Pattern: [AG].{4}GK[ST]
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]
419 GIINRKVLGSRVFGNKKQLKILTDIMWPII
=='''Coenzyme A Atomic structures:'''==
=='''Coenzyme A Atomic structures:'''==


'''Coenzyme A atomic structure by bfactor (flexibility as denoted by crystalography; red is more flexible, blue is more structurally stable)'''<BR>
'''Coenzyme A Synthase atomic structure by bfactor (flexibility as denoted by crystalography; red is more flexible, blue is more structurally stable)'''<BR>
[[Image:COASYCoa atomic struct by bfactor.JPG]]
[[Image:COASYCoa atomic struct by bfactor.JPG]]


'''Coenzyme A atomic structure'''<BR>
'''Coenzyme A Synthase atomic structure'''<BR>
[[Image:COASYCoa atomic struct.JPG]]
[[Image:COASYCoa atomic struct.JPG]]


=='''Coenzyme A Ribbon structures:'''==
=='''Coenzyme A Synthase Ribbon structures:'''==
'''Coenzyme A ribbon structure with water molecules'''<BR>
'''Coenzyme A ribbon structure with water molecules'''<BR>
[[Image:COASYWatermolecules.JPG]]
[[Image:COASYWatermolecules.JPG]]


'''Coenzyme A ribbon structure by hydrophobicity'''<BR>
'''Coenzyme A Synthase ribbon structure by hydrophobicity'''<BR>
[[Image:COASYHydrophobicity.JPG]]
[[Image:COASYHydrophobicity.JPG]]


'''Coenzyme A ribbon structure by compound type'''<BR>
'''Coenzyme A Synthase ribbon structure by compound type'''<BR>
[[Image:COASYCompounds.JPG]]
[[Image:COASYCompounds.JPG]]


'''Coenzyme A ribbon structure by conformation/structural type'''<BR>
'''Coenzyme A Synthase ribbon structure by conformation/structural type'''<BR>
[[Image:COASYConformationtypes.JPG]]
[[Image:COASYConformationtypes.JPG]]


=='''Binding Sites and types for AcetylCoenzymeA ligand to CoenzymeA:'''==
=='''Binding Sites and types for AcetylCoenzymeA ligand to CoenzymeA Synthase:'''==
'''Hydrophilic binding sites'''<BR>
'''Hydrophilic binding sites'''<BR>
[[Image:COASYAcohydrophilicres.JPG]]
[[Image:COASYAcohydrophilicres.JPG]]
Line 36: Line 89:
[[Image:COASYAcoother.JPG]]
[[Image:COASYAcoother.JPG]]


=='''Binding Sites and types for unknown ligand UNL to CoenzymeA:'''==
=='''Binding Sites and types for unknown ligand UNL to CoenzymeA Synthase:'''==
'''Hydrophilic binding sites'''
'''Hydrophilic binding sites'''
[[Image:COASYUnlhydrophilicres.JPG]]
[[Image:COASYUnlhydrophilicres.JPG]]

Revision as of 04:27, 22 May 2007

Coenzyme A Synthase PHD Functional Site Prediction


Pattern-ID: ASN_GLYCOSYLATION PS00001 PDOC00001 Pattern-DE: N-glycosylation site Pattern: N[^P][ST][^P] 34 NHTL

Pattern-ID: GLYCOSAMINOGLYCAN PS00002 PDOC00002 Pattern-DE: Glycosaminoglycan attachment site Pattern: SG.G 367 SGSG

Pattern-ID: PKC_PHOSPHO_SITE PS00005 PDOC00005 Pattern-DE: Protein kinase C phosphorylation site Pattern: [ST].[RK] 173 TIR 183 SPK 245 TER 291 TYR 335 SFR 369 SGK 541 TQR

Pattern-ID: CK2_PHOSPHO_SITE PS00006 PDOC00006 Pattern-DE: Casein kinase II phosphorylation site Pattern: [ST].{2}[DE] 324 TENE 534 TLWE

Pattern-ID: MYRISTYL PS00008 PDOC00008 Pattern-DE: N-myristoylation site Pattern: G[^EDRKHPFYW].{2}[STAGCN][^P] 194 GAVGGT 277 GSDPSL 295 GMAINR 365 GISGSG 505 GLSEAA

Pattern-ID: AMIDATION PS00009 PDOC00009 Pattern-DE: Amidation site Pattern: .G[RK][RK] 462 EGKR

Pattern-ID: ATP_GTP_A PS00017 PDOC00017 Pattern-DE: ATP/GTP-binding site motif A (P-loop) Pattern: [AG].{4}GK[ST] 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] 419 GIINRKVLGSRVFGNKKQLKILTDIMWPII

Coenzyme A Atomic structures:

Coenzyme A Synthase atomic structure by bfactor (flexibility as denoted by crystalography; red is more flexible, blue is more structurally stable)
COASYCoa atomic struct by bfactor.JPG

Coenzyme A Synthase atomic structure
COASYCoa atomic struct.JPG

Coenzyme A Synthase Ribbon structures:

Coenzyme A ribbon structure with water molecules
COASYWatermolecules.JPG

Coenzyme A Synthase ribbon structure by hydrophobicity
COASYHydrophobicity.JPG

Coenzyme A Synthase ribbon structure by compound type
COASYCompounds.JPG

Coenzyme A Synthase ribbon structure by conformation/structural type
COASYConformationtypes.JPG

Binding Sites and types for AcetylCoenzymeA ligand to CoenzymeA Synthase:

Hydrophilic binding sites
COASYAcohydrophilicres.JPG COASYAcohydrophilic.JPG

Hydrophobic binding sites
COASYAcohydrophobicres.JPG COASYAcohydrophobic.JPG

Bridged H bond binding sites
COASYAcobridgedhbond.JPG

Other binding sites
COASYAcootherres.JPG COASYAcoother.JPG

Binding Sites and types for unknown ligand UNL to CoenzymeA Synthase:

Hydrophilic binding sites COASYUnlhydrophilicres.JPG COASYUnlhydrophilic.JPG

Bridged H bond binding sites
COASYUnlbridgedbondhres.JPG COASYUnlbridgedbondh.JPG

Other binding sites COASYUnlotherres.JPG COASYUnlother.JPG

Structurally related proteins

Dali Table For Z > 7

File:COASYDali.txt

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.



Back To Main CoA Synthase Page