Structure of PDB 1alq Chain A Binding Site BS01

Receptor Information
>1alq Chain A (length=259) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEPIVLVIFTNKDNKSDKPNDKLISETAKSVMKEFAAAAKELNDLEKKYN
AHIGVYALDTKSGKEVKFNSDKRFAYASTSKAINSAILLEQVPYNKLNKK
VHINKDDIVAYSPILEKYVGKDITLKALIEASMTYSDNTANNKIIKEIGG
IKKVKQRLKELGDKVTNPVRYEIELNYYSPKSKKDTSTPAAFGKTLNKLI
ANGKLSKENKKFLLDLMLNNKSGDTLIKDGVPKDYKVADKSGQAITYASR
NDVAFVYPK
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain1alq Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1alq Circularly permuted beta-lactamase from Staphylococcus aureus PC1.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S176 K177
Binding residue
(residue number reindexed from 1)		S182 K183
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S70 K73 S130 E166 K234 Q237
Catalytic site (residue number reindexed from 1) S78 K81 S136 E172 K240 Q243
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008800 beta-lactamase activity
Biological Process
GO:0017001 antibiotic catabolic process
GO:0030655 beta-lactam antibiotic catabolic process
GO:0046677 response to antibiotic

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Molecular Function
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Biological Process
External links
PDB RCSB:1alq, PDBe:1alq, PDBj:1alq
PDBsum1alq
PubMed9220963
UniProtP00807|BLAC_STAAU Beta-lactamase (Gene Name=blaZ)

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