Structure of PDB 1ghi Chain A Binding Site BS01

Receptor Information
>1ghi 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
ANNKIIKEIGGIKKVKQRLKELGDKVTNPVRYDIELQYYSPKSKKDTSTP
AAFGKTLNKLIANGKLSKENKKFLLDLMLNNKSGDTLIKDGVPKDYKVAD
KSGQAITYASRNDVAFVYPKGQSEPIVLVIFTNKDNKSDKPNDKLISETA
KSVMKEF
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 chain1ghi Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ghi Structures of the acyl-enzyme complexes of the Staphylococcus aureus beta-lactamase mutant Glu166Asp:Asn170Gln with benzylpenicillin and cephaloridine.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S70 S130 S235
Binding residue
(residue number reindexed from 1)		S39 S97 S202
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S70 K73 S130 D166 K234 Q237
Catalytic site (residue number reindexed from 1) S39 K42 S97 D133 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:1ghi, PDBe:1ghi, PDBj:1ghi
PDBsum1ghi
PubMed11327855
UniProtP00807|BLAC_STAAU Beta-lactamase (Gene Name=blaZ)

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