Structure of PDB 1odt Chain H Binding Site BS01
Receptor Information
>1odt Chain H (length=317) Species:
1423
(Bacillus subtilis) [
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MQLFDLPLDQLQTYKPEKTAPKDFSEFWKLSLEELAKVQAEPDLQPVDYP
ADGVKVYRLTYKSFGNARITGWYAVPDKEGPHPAIVKYHGYNASYDGEIH
EMVNWALHGYATFGMLVRGQQSSEDTSISPHGHALGWMTKGILDKDTYYY
RGVYLDAVRALEVISSFDEVDETRIGVTGGAQGGGLTIAAAALSDIPKAA
VADYPYLSNFERAIDVALEEPYLEINSFFRRNGSPETEVQAMKTLSYFDI
MNLADRVKVPVLMSIGLIDKVTPPSTVFAAYNHLETKKELKVYRYFGHEY
IPAFQTEKLAFFKQHLK
Ligand information
Ligand ID
ACT
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKey
QTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
Software
SMILES
ACDLabs 10.04
[O-]C(=O)C
OpenEye OEToolkits 1.5.0
CC(=O)[O-]
CACTVS 3.341
CC([O-])=O
Formula
C2 H3 O2
Name
ACETATE ION
ChEMBL
DrugBank
DB14511
ZINC
PDB chain
1odt Chain H Residue 1318 [
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Receptor-Ligand Complex Structure
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PDB
1odt
Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
G90 Y91 A181 Q182 Y206 P221 H298
Binding residue
(residue number reindexed from 1)
G90 Y91 A181 Q182 Y206 P221 H298
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
Y91 A181 Q182 D269 H298
Catalytic site (residue number reindexed from 1)
Y91 A181 Q182 D269 H298
Enzyme Commision number
3.1.1.41
: cephalosporin-C deacetylase.
3.1.1.72
: acetylxylan esterase.
Gene Ontology
Molecular Function
GO:0016788
hydrolase activity, acting on ester bonds
GO:0046555
acetylxylan esterase activity
GO:0047739
cephalosporin-C deacetylase activity
GO:0052689
carboxylic ester hydrolase activity
Biological Process
GO:0005976
polysaccharide metabolic process
GO:0030245
cellulose catabolic process
Cellular Component
GO:0005737
cytoplasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1odt
,
PDBe:1odt
,
PDBj:1odt
PDBsum
1odt
PubMed
12842474
UniProt
P94388
|CAH_BACSU Cephalosporin-C deacetylase (Gene Name=cah)
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