Structure of PDB 2hdq Chain A

Receptor sequence
>2hdqA (length=358) Species: 83333 (Escherichia coli K-12) [Search protein sequence]
APQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQP
VTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNG
ITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANS
SIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGY
REGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQ
LAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITP
PTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAA
WQILNALQ
3D structure
PDB2hdq Deconstructing fragment-based inhibitor discovery
ChainA
Resolution2.1 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 C21 A R148 Y150 K290 R145 Y147 K287 MOAD: Ki=40mM
PDBbind-CN: -logKd/Ki=1.40,Ki=40mM
BindingDB: Ki=40000000nM
BS02 C21 A P240 Q256 A307 R309 P330 P237 Q253 A304 R306 P327 MOAD: Ki=40mM
PDBbind-CN: -logKd/Ki=1.40,Ki=40mM
BindingDB: Ki=40000000nM
BS03 C21 A A141 W142 A143 A138 W139 A140 MOAD: Ki=40mM
PDBbind-CN: -logKd/Ki=1.40,Ki=40mM
BindingDB: Ki=40000000nM
BS04 C21 A V211 Y221 T319 G320 V208 Y218 T316 G317 MOAD: Ki=40mM
PDBbind-CN: -logKd/Ki=1.40,Ki=40mM
BindingDB: Ki=40000000nM
BS05 C21 A P38 A231 R232 Q235 P35 A228 R229 Q232 MOAD: Ki=40mM
PDBbind-CN: -logKd/Ki=1.40,Ki=40mM
BindingDB: Ki=40000000nM
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
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Cellular Component
External links
PDB RCSB:2hdq, PDBe:2hdq, PDBj:2hdq
PDBsum2hdq
PubMed17072304
UniProtP00811|AMPC_ECOLI Beta-lactamase (Gene Name=ampC)

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