Structure of PDB 2hds Chain A

Receptor sequence

>2hdsA (length=358) Species: 83333 (Escherichia coli K-12)

APQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQP
VTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNG
ITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANS
SIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGY
REGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQ
LAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITP
PTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAA
WQILNALQ

3D structure

• PDB: 2hds Deconstructing fragment-based inhibitor discovery
• Chain: A
• Resolution: 1.16 Å

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	FRU	A	N152 Y221 A318	N149 Y218 A315
BS02	4MB	A	R148 Y150 K290 L293	R145 Y147 K287 L290	MOAD: Ki=10mM PDBbind-CN: -logKd/Ki=2.00,Ki=10mM BindingDB: Ki=10000000nM
BS03	4MB	A	T302 P303	T299 P300	MOAD: Ki=10mM PDBbind-CN: -logKd/Ki=2.00,Ki=10mM BindingDB: Ki=10000000nM
BS04	4MB	A	L107 H108 W260 I301 T302 P304	L104 H105 W257 I298 T299 P301	MOAD: Ki=10mM PDBbind-CN: -logKd/Ki=2.00,Ki=10mM BindingDB: Ki=10000000nM

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

External links

• PDB: RCSB:2hds, PDBe:2hds, PDBj:2hds
• PDBsum: 2hds
• PubMed: 17072304
• UniProt: P00811|AMPC_ECOLI Beta-lactamase (Gene Name=ampC)