Structure of PDB 7o9n Chain BBB Binding Site BS01

Receptor Information
>7o9n Chain BBB (length=245) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPAS
TFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVV
PVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQI
SFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIG
WWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
Ligand information
Ligand IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain7o9n Chain BBB Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7o9n Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
Resolution1.97 Å
Binding residue
(original residue number in PDB)		S70 S118 T209 G210
Binding residue
(residue number reindexed from 1)		S50 S98 T189 G190
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process
GO:0046677 response to antibiotic
GO:0071555 cell wall organization

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7o9n, PDBe:7o9n, PDBj:7o9n
PDBsum7o9n
PubMed
UniProtQ6XEC0

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