Structure of PDB 1blh Chain A Binding Site BS01

Receptor Information
>1blh 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
ANNKIIKEIGGIKKVKQRLKELGDKVTNPVRYEIELNYYSPKSKKDTSTP
AAFGKTLNKLIANGKLSKENKKFLLDLMLNNKSGDTLIKDGVPKDYKVAD
KSGQAITYASRNDVAFVYPKGQSEPIVLVIFTNKDNKSDKPNDKLISETA
KSVMKEF
Ligand information
Ligand IDFOS
InChIInChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
InChIKeyWUNKRZNFNIYEPN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)CNC(=O)OCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)COC(=O)NCP(=O)(O)O
ACDLabs 10.04O=P(O)(O)CNC(=O)OCc1ccccc1
FormulaC9 H12 N O5 P
Name[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE
ChEMBLCHEMBL1232804
DrugBankDB02642
ZINC
PDB chain1blh Chain A Residue 291 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1blh Structure of a phosphonate-inhibited beta-lactamase. An analog of the tetrahedral transition state/intermediate of beta-lactam hydrolysis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S70 N132 N170 G236 Q237 I239
Binding residue
(residue number reindexed from 1)		S39 N99 N137 G203 Q204 I206
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S70 K73 S130 E166 K234 Q237
Catalytic site (residue number reindexed from 1) S39 K42 S97 E133 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1blh, PDBe:1blh, PDBj:1blh
PDBsum1blh
PubMed8230196
UniProtP00807|BLAC_STAAU Beta-lactamase (Gene Name=blaZ)

[Back to BioLiP]