Structure of PDB 4ddy Chain B

Receptor sequence
>4ddyB (length=261) Species: 562 (Escherichia coli) [Search protein sequence]
SAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAA
AAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAAL
QYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDP
RDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPT
SWTAGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVL
ASAARIIAEGL
3D structure
PDB4ddy Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
ChainB
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) S43 K46 S103 E139 K207 S210
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 DN6 B K111 H112 A124 A125 Y129 K84 H85 A97 A98 Y102 MOAD: Ki=2.4uM
BS02 DN6 B N104 Y105 T216 N77 Y78 T189 MOAD: Ki=2.4uM
BS03 DN6 B N104 Y105 S130 N132 P167 N170 T171 T235 G236 S237 D240 N77 Y78 S103 N105 P140 N143 T144 T208 G209 S210 D212 MOAD: Ki=2.4uM
BS04 DN6 B N92 Q93 P94 N65 Q66 P67 MOAD: Ki=2.4uM
BS05 DN6 B Q87 K88 Q89 L90 Q60 K61 Q62 L63 MOAD: Ki=2.4uM
BS06 DN6 B Q30 Q56 L59 Y60 R61 G62 Q4 Q30 L32 Y33 R34 G35 MOAD: Ki=2.4uM
BS07 DN6 B Q254 R256 L290 Q225 R227 L261 MOAD: Ki=2.4uM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ddy, PDBe:4ddy, PDBj:4ddy
PDBsum4ddy
PubMed22296601
UniProtQ9L5C8

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