Structure of PDB 2hdu Chain B

Receptor sequence
>2hduB (length=358) Species: 83333 (Escherichia coli K-12) [Search protein sequence]
APQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQP
VTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNG
ITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANS
SIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGY
REGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQ
LAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITP
PTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAA
WQILNALQ
3D structure
PDB2hdu Deconstructing fragment-based inhibitor discovery
ChainB
Resolution1.49 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S64 K67 Y112 A114 V121 Y150 G156 E272 K315 A318
Catalytic site (residue number reindexed from 1) S61 K64 Y109 A111 V118 Y147 G153 E269 K312 A315
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 F12 B S64 Q120 Y221 G317 A318 S61 Q117 Y218 G314 A315 MOAD: Ki=5mM
BindingDB: Ki=5000000nM
BS02 F12 B L254 S257 L251 S254 MOAD: Ki=5mM
BindingDB: Ki=5000000nM
BS03 F12 B L119 L293 L116 L290 MOAD: Ki=5mM
BindingDB: Ki=5000000nM
BS04 F12 B N285 G286 I291 R296 N282 G283 I288 R293 MOAD: Ki=5mM
BindingDB: Ki=5000000nM
BS05 F12 B Q120 T319 N343 Q117 T316 N340 MOAD: Ki=5mM
BindingDB: Ki=5000000nM
BS06 F12 B H13 R14 H10 R11 MOAD: Ki=5mM
BindingDB: Ki=5000000nM
Gene Ontology
Molecular Function
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
Biological Process
GO:0017001 antibiotic catabolic process
GO:0046677 response to antibiotic
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2hdu, PDBe:2hdu, PDBj:2hdu
PDBsum2hdu
PubMed17072304
UniProtP00811|AMPC_ECOLI Beta-lactamase (Gene Name=ampC)

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