Structure of PDB 4de2 Chain A

Receptor sequence
>4de2A (length=260) Species: 562 (Escherichia coli) [Search protein sequence]
AVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAA
AVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQ
YSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPR
DTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTS
WTAGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLA
SAARIIAEGL
3D structure
PDB4de2 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
ChainA
Resolution1.4 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 S130 E166 K234 S237
Catalytic site (residue number reindexed from 1) S42 K45 S102 E138 K206 S209
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 DN3 A N104 Y105 S130 N132 P167 N170 T235 G236 S237 D240 N76 Y77 S102 N104 P139 N142 T207 G208 S209 D211 MOAD: Ki=76uM
PDBbind-CN: -logKd/Ki=4.12,Ki=76.0uM
BS02 DN3 A K82 Q83 L142 G147 A154 K54 Q55 L114 G119 A126 MOAD: Ki=76uM
PDBbind-CN: -logKd/Ki=4.12,Ki=76.0uM
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:4de2, PDBe:4de2, PDBj:4de2
PDBsum4de2
PubMed22296601
UniProtQ9L5C8

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