DB code: S00345

RLCP classification 1.12.30000.10 : Hydrolysis
CATH domain 3.40.50.1820 : Rossmann fold Catalytic domain
E.C. 3.1.1.1
CSA 1auo
M-CSA 1auo
MACiE

CATH domain Related DB codes (homologues)
3.40.50.1820 : Rossmann fold S00544 S00344 S00517 S00525 S00526 S00720 S00723 S00724 S00725 S00919 S00057 S00374 S00347 S00348 S00346 S00350 S00352 S00353 S00355 S00356 S00358 D00189 D00210 D00539 T00253

Uniprot Enzyme Name
UniprotKB Protein name Synonyms Pfam
Q53547 Carboxylesterase 2
EC 3.1.1.1
Esterase II
PF02230 (Abhydrolase_2)
[Graphical View]

KEGG enzyme name
carboxylesterase
ali-esterase
B-esterase
monobutyrase
cocaine esterase
procaine esterase
methylbutyrase
vitamin A esterase
butyryl esterase
carboxyesterase
carboxylate esterase
carboxylic esterase
methylbutyrate esterase
triacetin esterase
carboxyl ester hydrolase
butyrate esterase
methylbutyrase
alpha-carboxylesterase
propionyl esterase
nonspecific carboxylesterase
esterase D
esterase B
esterase A
serine esterase
carboxylic acid esterase
cocaine esterase

UniprotKB: Accession Number Entry name Activity Subunit Subcellular location Cofactor
Q53547 EST2_PSEFL A carboxylic ester + H(2)O = an alcohol + a carboxylate. Homodimer.

KEGG Pathways
Map code Pathways E.C.
MAP00960 Alkaloid biosynthesis II
MAP00983 Drug metabolism - other enzymes

Compound table
Substrates Products Intermediates
KEGG-id C02391 C00001 C00069 C00060 I00123 I00085 I00086
E.C.
Compound Carboxylic ester H2O Alcohol Carboxylate Peptidyl-Ser-tetrahedral intermediate (with previous carboxylic-ester) Acyl-enzyme(Peptidyl-Ser-acyl group) Peptidyl-Ser-tetrahedral-intermediate
Type carbohydrate H2O carbohydrate carboxyl group
ChEBI 15377
PubChem 22247451
962
1auoA Pdbj logo s Rasmollogo id Rasmollogo chain Mmcif id Mmcif chain Unbound Unbound Unbound Unbound Unbound Unbound
1auoB Pdbj logo s Rasmollogo id Rasmollogo chain Mmcif id Mmcif chain Unbound Unbound Unbound Unbound Unbound Unbound
1aurA Pdbj logo s Rasmollogo id Rasmollogo chain Mmcif id Mmcif chain Unbound Unbound Unbound Unbound Unbound Analogue:PMS
1aurB Pdbj logo s Rasmollogo id Rasmollogo chain Mmcif id Mmcif chain Unbound Unbound Unbound Unbound Unbound Analogue:PMS

Reference for Active-site residues
resource references E.C.
Swiss-prot, PDB & literature

Active-site residues
PDB Catalytic residues Cofactor-binding residues Modified residues Main-chain involved in catalysis Comment
1auoA Pdbj logo s Rasmollogo id Rasmollogo chain Mmcif id Mmcif chain SER 114;ASP 168;HIS 199 LEU 23;GLN 115
1auoB Pdbj logo s Rasmollogo id Rasmollogo chain Mmcif id Mmcif chain SER 114;ASP 168;HIS 199 LEU 23;GLN 115
1aurA Pdbj logo s Rasmollogo id Rasmollogo chain Mmcif id Mmcif chain SER 114;ASP 168;HIS 199 LEU 23;GLN 115
1aurB Pdbj logo s Rasmollogo id Rasmollogo chain Mmcif id Mmcif chain SER 114;ASP 168;HIS 199 LEU 23;GLN 115

References for Catalytic Mechanism
References Sections No. of steps in catalysis
[1]
p.1574-1576
[2]
p.762-763
[3]
p.12300-12301

References
[1]
Resource
Comments X-ray crystallography (1.8 Angstroms)
Medline ID
PubMed ID 9438866
Journal Structure
Year 1997
Volume 5
Pages 1571-84
Authors Kim KK, Song HK, Shin DH, Hwang KY, Choe S, Yoo OJ, Suh SW
Title Crystal structure of carboxylesterase from Pseudomonas fluorescens, an alpha/beta hydrolase with broad substrate specificity.
Related PDB 1auo 1aur
Related UniProtKB Q53547
[2]
Resource
Comments X-ray crystallography (2.6 Angstroms)
Medline ID
PubMed ID 11061974
Journal J Mol Biol
Year 2000
Volume 303
Pages 761-71
Authors De Simone G, Galdiero S, Manco G, Lang D, Rossi M, Pedone C
Title A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase.
Related PDB 1evq
Related UniProtKB
[3]
Resource
Comments Homologous enzyme
Medline ID
PubMed ID 12369817
Journal Biochemistry
Year 2002
Volume 41
Pages 12297-307
Authors Turner JM, Larsen NA, Basran A, Barbas CF 3rd, Bruce NC, Wilson IA, Lerner RA
Title Biochemical characterization and structural analysis of a highly proficient cocaine esterase.
Related PDB
Related UniProtKB

Comments

Created Updated
2002-07-11 2012-10-22