1JU4

BACTERIAL COCAINE ESTERASE COMPLEX WITH PRODUCT

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0008239	molecular_function	dipeptidyl-peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0050784	biological_process	cocaine catabolic process
A	0052689	molecular_function	carboxylic ester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BEZ A 584

Chain	Residue
A	TYR44
A	SER117
A	TYR118
A	TRP151
A	TRP166
A	HIS287

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Acyl-ester intermediate => ECO:0000269|PubMed:11742345

Chain	Residue	Details
A	SER117

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site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: Charge relay system => ECO:0000269|PubMed:11742345

Chain	Residue	Details
A	ASP259
A	HIS287

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site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING:

Chain	Residue	Details
A	TYR44
A	TYR118

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site_id	SWS_FT_FI4
Number of Residues	1
Details	SITE: Probably involved in activating the substrate carbonyl and the acyl enzyme for hydrolysis

Chain	Residue	Details
A	TYR44

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	5
Details	Annotated By Reference To The Literature 1mpx

Chain	Residue	Details
A	TYR118
A	TYR44
A	ASP259
A	HIS287
A	SER117

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site_id	MCSA1
Number of Residues	6
Details	M-CSA 465

Chain	Residue	Details
A	TYR44	transition state stabiliser
A	SER117	covalent catalysis, proton shuttle (general acid/base)
A	TYR118	electrostatic stabiliser
A	TRP166	activator
A	ASP259	activator, electrostatic stabiliser
A	HIS287	proton shuttle (general acid/base)

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