Structure of PDB 4dds Chain A

Receptor sequence
>4ddsA (length=260) Species: 562 (Escherichia coli) [Search protein sequence]
AVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAA
AVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQ
YSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPR
DTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTS
WTAGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLA
SAARIIAEGL
3D structure
PDB4dds Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
ChainA
Resolution1.36 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 0J7 A S70 N104 Y105 S130 N132 P167 T168 N170 T171 T235 G236 S237 G238 S42 N76 Y77 S102 N104 P139 T140 N142 T143 T207 G208 S209 G210 MOAD: Ki=9.7uM
PDBbind-CN: -logKd/Ki=5.01,Ki=9.7uM
BS02 0J7 A G143 G146 G115 G118 MOAD: Ki=9.7uM
PDBbind-CN: -logKd/Ki=5.01,Ki=9.7uM
BS03 0J7 A N104 Y105 T216 N76 Y77 T188 MOAD: Ki=9.7uM
PDBbind-CN: -logKd/Ki=5.01,Ki=9.7uM
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:4dds, PDBe:4dds, PDBj:4dds
PDBsum4dds
PubMed22296601
UniProtQ9L5C8

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