Structure of PDB 1kgg Chain A Binding Site BS01

Receptor Information
>1kgg Chain A (length=257) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KELNDLEKKYNAHIGVYALDTKSGKEVKFNSDKRFAYASTSKAINSAILL
EQVPYNKLNKKVHINKDDIVAYSPILEKYVGKDITLKALIEASMTYSDNT
ANNKIIKEIGGIKKVKQRLKELGDKVTNPVRYQIELDYYSPKSKKDTSTP
AAFGKTLNKLIANGKLSKENKKFLLDLMLNNKSGDTLIKDGVPKDYKVAD
KSGQAITYASRNDVAFVYPKGQSEPIVLVIFTNKDNKSDKPNDKLISETA
KSVMKEF
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1kgg Chain A Residue 292 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kgg Relocation of the catalytic carboxylate group in class A beta-lactamase: the structure and function of the mutant enzyme Glu166-->Gln:Asn170-->Asp.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S70 S130 G236
Binding residue
(residue number reindexed from 1)		S39 S97 G203
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S70 K73 S130 Q166 K234 Q237
Catalytic site (residue number reindexed from 1) S39 K42 S97 Q133 K201 Q204
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase 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:1kgg, PDBe:1kgg, PDBj:1kgg
PDBsum1kgg
PubMed10436083
UniProtP00807|BLAC_STAAU Beta-lactamase (Gene Name=blaZ)

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