Structure of PDB 3scf Chain B Binding Site BS03

Receptor Information
>3scf Chain B (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 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 chain3scf Chain B Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3scf Structural basis of regiospecificity of a mononuclear iron enzyme in antibiotic fosfomycin biosynthesis.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		H138 E142 H180 F182
Binding residue
(residue number reindexed from 1)		H133 E137 H175 F177
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: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:3scf, PDBe:3scf, PDBj:3scf
PDBsum3scf
PubMed21682308
UniProtQ56185|HPPE_STRWE (S)-2-hydroxypropylphosphonic acid epoxidase (Gene Name=hppE)

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