Structure of PDB 4u3d Chain A

Receptor sequence
>4u3dA (length=267) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence]
GLEKTVKEKLSFEGVGIHTGEYSKLIIHPEKEGTGIRFFKNGVYIPARHE
FVVHTNHSTDLGFKGQRIKTVEHILSVLHLLEITNVTIEVIGNEIPILDG
SGWEFYEAIRKNILNQNREIDYFVVEEPIIVEDEGRLIKAEPSDTLEVTY
EGEFKNFLGRQKFTFVEGNEEEIVLARTFAFDWEIEHIKKVGLGKGGSLK
NTLVLGKDKVYNPEGLRYENEPVRHKVFDLIGDLYLLGSPVKGKFYSFRG
GHSLNVKLVKELAKKQK
3D structure
PDB4u3d Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
ChainA
Resolution1.25 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.5.1.108: UDP-3-O-acyl-N-acetylglucosamine deacetylase.
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 ZN A H74 H226 D230 H73 H225 D229
BS02 ZN A H58 H188 H57 H187
BS03 3BX A I18 H58 E73 T179 F180 A181 I189 G198 S199 V205 Y212 H226 K227 D230 H253 I17 H57 E72 T178 F179 A180 I188 G197 S198 V204 Y211 H225 K226 D229 H252
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0103117 UDP-3-O-acyl-N-acetylglucosamine deacetylase activity
Biological Process
GO:0006796 phosphate-containing compound metabolic process
GO:0009245 lipid A biosynthetic process
GO:0019637 organophosphate metabolic process
GO:1901135 carbohydrate derivative metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4u3d, PDBe:4u3d, PDBj:4u3d
PDBsum4u3d
PubMed25408833
UniProtO67648|LPXC_AQUAE UDP-3-O-acyl-N-acetylglucosamine deacetylase (Gene Name=lpxC)

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