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Ligands
Code Name Link
CCQ L-carnitinyl-CoA inner salt
Code : 1XVV   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal Structure of CaiB mutant D169A in complex with carnitinyl-CoA
Release Data : 2005-03-15
Compound :
mol_id molecule chains
1 Crotonobetainyl-CoA:carnitine CoA-transferase A
ec: 2.8.3.-
mutation: D169A
Source :
mol_id organism_scientific expression_system
1 Escherichia coli  (taxid:562) Escherichia coli BL21  (taxid:511693)
gene: caiB
expression_system_strain: BL21
expression_system_vector_type: Plasmid
expression_system_plasmid: pGEX-4T1
Authors : Rangarajan, E.S., Li, Y., Iannuzzi, P., Cygler, M., Matte, A.
Keywords : CaiB, CoA-transferase, Carnityl-CoA, Asp mutant, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.40 Å )
Citation :

Crystal Structure of Escherichia coli Crotonobetainyl-CoA: Carnitine CoA-Transferase (CaiB) and Its Complexes with CoA and Carnitinyl-CoA.

Rangarajan, E.S.,Li, Y.,Iannuzzi, P.  et al.
(2005)  Biochemistry  44 : 5728 - 5738

PubMed: 15823031
DOI: 10.1021/bi047656f

Chain : A
UniProt : P31572 (CAIB_ECOLI)
Reaction : Reaction=(R)-carnitine + crotonobetainyl-CoA = (R)-carnitinyl-CoA + crotonobetaine; Xref=Rhea:RHEA:28526, ChEBI:CHEBI:16347, ChEBI:CHEBI:17237, ChEBI:CHEBI:60932, ChEBI:CHEBI:60933; EC=2.8.3.21; Evidence={ECO:0000255|HAMAP-Rule:MF_01050, ECO:0000269|PubMed:11551212};
Reaction=(R)-carnitine + gamma-butyrobetainyl-CoA = (R)-carnitinyl-CoA + 4-(trimethylamino)butanoate; Xref=Rhea:RHEA:28418, ChEBI:CHEBI:16244, ChEBI:CHEBI:16347, ChEBI:CHEBI:60932, ChEBI:CHEBI:61513; EC=2.8.3.21; Evidence={ECO:0000255|HAMAP- Rule:MF_01050, ECO:0000269|PubMed:11551212};