Structure of PDB 4j1x Chain A Binding Site BS02

Receptor Information
>4j1x Chain A (length=193) Species: 43759 (Streptomyces wedmorensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TASTGFAELLKDRREQVKMDHAALASLLGETPETVAAWENGEGGELTLTQ
LGRIAHVLGTSIGALTPPAGNDLDDGVIIQMPDERPILKGVRDNVDYYVY
NCLVRTKRAPSLVPLVVDVLTDNPDDAKFNSGHAGNEFLFVLEGEIHMKW
GDKENPKEALLPTGASMFVEEHVPHAFTAAKGTGSAKLIAVNF
Ligand information
Ligand ID1JJ
InChIInChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyMVIJUJBSAAUHEM-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC(O)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(O)CC
OpenEye OEToolkits 1.7.6CC[C@@H](O)P(=O)(O)O
CACTVS 3.370CC[CH](O)[P](O)(O)=O
CACTVS 3.370CC[C@@H](O)[P](O)(O)=O
FormulaC3 H9 O4 P
Name[(1S)-1-hydroxypropyl]phosphonic acid
ChEMBL
DrugBank
ZINC
PDB chain4j1x Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4j1x Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R97 Y103 Y105 N135 H138 E142 H180 F182
Binding residue
(residue number reindexed from 1)		R92 Y98 Y100 N130 H133 E137 H175 F177
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.23: (S)-2-hydroxypropylphosphonic acid epoxidase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008198 ferrous iron binding
GO:0016717 oxidoreductase activity, acting on paired donors, with oxidation of a pair of donors resulting in the reduction of molecular oxygen to two molecules of water
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0051289 protein homotetramerization
GO:1901766 phosphinothricin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4j1x, PDBe:4j1x, PDBj:4j1x
PDBsum4j1x
PubMed23552950
UniProtQ56185|HPPE_STRWE (S)-2-hydroxypropylphosphonic acid epoxidase (Gene Name=hppE)

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