Structure of PDB 5tg5 Chain A

Receptor sequence
>5tg5A (length=245) Species: 470 (Acinetobacter baumannii) [Search protein sequence]
MHISSQQHEKAIKSYFDEAQTQGVIIIKEGKNLSTYGNALARANKEYVPA
STFKMLNALIGLENHKATTNEIFKWDGKKRTYPMWEKDMTLGEAMALSAV
PVYQELARRTGLELMQKEVKRVNFGNTNIGTQVDNFWLVGPLKITPVQEV
NFADDLAHNRLPFKLETQEEVKKMLLIKEVNGSKIYAKSGWGMGVTPQVG
WLTGWVEQANGKKIPFSLNLEMKEGMSGSIRNEITYKSLENLGII
3D structure
PDB5tg5 Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
ChainA
Resolution1.75 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S81 K84 S128 Y133 W167 W221
Catalytic site (residue number reindexed from 1) S51 K54 S98 Y103 W137 W191
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 JW8 A S81 W115 S128 V130 L168 W221 M223 S51 W85 S98 V100 L138 W191 M193 PDBbind-CN: -logKd/Ki=4.01,Ki=97.3uM
BS02 JW8 A Y112 L127 W221 G258 R261 Y82 L97 W191 G228 R231 PDBbind-CN: -logKd/Ki=4.01,Ki=97.3uM
BS03 BCT A R110 T111 W115 R80 T81 W85
Gene Ontology
Molecular Function
GO:0008658 penicillin binding
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
Biological Process
GO:0071555 cell wall organization

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Molecular Function
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Biological Process
External links
PDB RCSB:5tg5, PDBe:5tg5, PDBj:5tg5
PDBsum5tg5
PubMed27997706
UniProtQ8RLA6

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