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1L7Q

Ser117Ala Mutant of Bacterial Cocaine Esterase cocE

Functional Information from GO Data
ChainGOidnamespacecontents
A0005737cellular_componentcytoplasm
A0008239molecular_functiondipeptidyl-peptidase activity
A0016787molecular_functionhydrolase activity
A0050784biological_processcocaine catabolic process
A0052689molecular_functioncarboxylic ester hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE BEZ A 600
ChainResidue
ATYR44
AALA117
ATYR118
ATRP151
ATRP166
AHIS287
AHOH1066
AHOH1094

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues95
DetailsRegion: {"description":"2"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues113
DetailsRegion: {"description":"1B"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues219
DetailsRegion: {"description":"3"}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsActive site: {"description":"Acyl-ester intermediate","evidences":[{"source":"PubMed","id":"11742345","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsActive site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"11742345","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues2
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues1
DetailsSite: {"description":"Probably involved in activating the substrate carbonyl and the acyl enzyme for hydrolysis"}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues6
Detailsa catalytic site defined by CSA, PubMed 11742345, 12369817
ChainResidueDetails
ATYR118
ATYR44
AASP259
AHIS287
ATRP166
AALA117

site_idMCSA1
Number of Residues6
DetailsM-CSA 465
ChainResidueDetails
ATYR44transition state stabiliser
AALA117covalent catalysis, proton shuttle (general acid/base)
ATYR118electrostatic stabiliser
ATRP166activator
AASP259activator, electrostatic stabiliser
AHIS287proton shuttle (general acid/base)

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PDB entries from 2025-12-03

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