Structure of PDB 5qb3 Chain A

Receptor sequence
>5qb3A (length=241) Species: 573 (Klebsiella pneumoniae) [Search protein sequence]
WQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKI
PNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQ
EFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLR
KLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVG
WVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
3D structure
PDB5qb3 A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S70 K73 S118 Y123 W157 Y211
Catalytic site (residue number reindexed from 1) S46 K49 S94 Y99 W133 Y187
Enzyme Commision number 3.5.2.6: beta-lactamase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 AVM A S70 V120 L158 T209 Y211 R214 S244 L247 R250 S46 V96 L134 T185 Y187 R190 S220 L223 R226 MOAD: Kd=49uM
PDBbind-CN: -logKd/Ki=4.31,Kd=49uM
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5qb3, PDBe:5qb3, PDBj:5qb3
PDBsum5qb3
PubMed29348071
UniProtQ6XEC0

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