Structure of PDB 5tg4 Chain A

Receptor sequence
>5tg4A (length=245) Species: 470 (Acinetobacter baumannii) [Search protein sequence]
MHISSQQHEKAIKSYFDEAQTQGVIIIKEGKNLSTYGNALARANKEYVPA
STFKMLNALIGLENHKATTNEIFKWDGKKRTYPEWEKDMTLGEAMALSAV
PVYQELARRTGLELMQKEVKRVNFGNTNIGTQVDNFWLVGPLKITPVQEV
NFADDLAHNRLPFKLETQEEVKKMLLIKEVNGSKIYAKSGWGMGVTPQVG
WLTGWVEQANGKKIPFSLNLEMKEGMSGSIRNEITYKSLENLGII
3D structure
PDB5tg4 Exploring the potential of boronic acids as inhibitors of OXA-24/40 beta-lactamase.
ChainA
Resolution1.44 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 JW1 A S81 K84 W115 S128 V130 L168 W221 M223 S51 K54 W85 S98 V100 L138 W191 M193 PDBbind-CN: -logKd/Ki=3.32,Ki=475uM
BS02 3GR A Q50 T51 K253 Q20 T21 K223
BS03 3GR A Q178 N181 Q148 N151
BS04 BCT A K194 L195 K164 L165
BS05 BCT A H188 K243 H158 K213
BS06 MEE A X114 L127 X84 L97
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:5tg4, PDBe:5tg4, PDBj:5tg4
PDBsum5tg4
PubMed27997706
UniProtQ8RLA6

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