Structure of PDB 5u55 Chain D Binding Site BS02

Receptor Information
>5u55 Chain D (length=186) Species: 317 (Pseudomonas syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLAVGKAHLEALLATRKMTLEHLQDVRHDATQVYFDGLEHLQNVAQYLAI
PLSEFFVGQTQSDLDDGVKIARRNGGFKREEIRGGVHYYTYEHLVTTNQD
PGLMALRLDLHSDDEQPLRLNGGHGSREIVYVTRGAVRVRWVGDNDELKE
DVLNEGDSIFILPNVPHSFTNHVGGAKSEIIAINYG
Ligand information
Ligand IDS0H
InChIInChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyZFVCONUOLQASEW-VKHMYHEASA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](O)C[P](O)(O)=O
CACTVS 3.341C[C@H](O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(CP(=O)(O)O)O
OpenEye OEToolkits 1.5.0C[C@@H](CP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)CC(O)C
FormulaC3 H9 O4 P
Name(S)-2-HYDROXYPROPYLPHOSPHONIC ACID
ChEMBL
DrugBank
ZINC
PDB chain5u55 Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5u55 Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		Y95 N125 H128 E132 H171
Binding residue
(residue number reindexed from 1)		Y91 N121 H124 E128 H167
Annotation score5
Enzymatic activity
Enzyme Commision number 1.11.1.23: (S)-2-hydroxypropylphosphonic acid epoxidase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5u55, PDBe:5u55, PDBj:5u55
PDBsum5u55
PubMed27977135
UniProtQ9JN69|HPPE_PSESX (S)-2-hydroxypropylphosphonic acid epoxidase (Gene Name=hppE)

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