Structure of PDB 9bzr Chain A Binding Site BS01

Receptor Information
>9bzr Chain A (length=270) Species: 257310 (Bordetella bronchiseptica RB50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAAAQAQRQLALLEQRHGVRLGVQVHDRDSDRAFSHRADERFPMCSTFKL
LAAGAVLARADRGDDSLRRLIRYGAADIVAYSPVTGPRQAEGMTLEQLCE
AAVTRSDNTAGNLLLSTLGGPPGLTAYARGLGDRMTRLDRIETALNEARP
GDPRDTTTPAAMAGNLQRLLLGDALQSASRQRLADWLLASQTGDTRLRAG
LPAGWRIGDKTGAGGHGTNNDIGVIWPRDGAPVLISAYLTQSSASREAQN
AVLAEVGRIAAHAVAAWRLG
Ligand information
Ligand IDTEM
InChIInChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1
InChIKeyFXITUJNZFYVSNC-RCYFRSRISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C=O)C(CNC=CC=O)O
CACTVS 3.341O[C@@H](CN\C=C\C=O)CC=O
CACTVS 3.341O[CH](CNC=CC=O)CC=O
ACDLabs 10.04O=C\C=C\NCC(O)CC=O
OpenEye OEToolkits 1.5.0C(C=O)C(CN\C=C\C=O)O
FormulaC7 H11 N O3
NameN-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE
ChEMBL
DrugBank
ZINCZINC000006292517
PDB chain9bzr Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9bzr Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate
Resolution1.4 Å
Binding residue
(original residue number in PDB)		S80 S140 N142 N180 G246 A247
Binding residue
(residue number reindexed from 1)		S46 S106 N108 N146 G212 A213
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.6: beta-lactamase.
External links