Structure of PDB 3scg Chain C Binding Site BS01

Receptor Information
>3scg Chain C (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 IDTB6
InChIInChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
InChIKeyZFVCONUOLQASEW-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C[C@H](CP(=O)(O)O)O
CACTVS 3.370C[CH](O)C[P](O)(O)=O
OpenEye OEToolkits 1.7.2CC(CP(=O)(O)O)O
CACTVS 3.370C[C@@H](O)C[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)CC(O)C
FormulaC3 H9 O4 P
Name[(2R)-2-hydroxypropyl]phosphonic acid
ChEMBL
DrugBank
ZINC
PDB chain3scg Chain C Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3scg Structural basis of regiospecificity of a mononuclear iron enzyme in antibiotic fosfomycin biosynthesis.
Resolution3.0 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 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:3scg, PDBe:3scg, PDBj:3scg
PDBsum3scg
PubMed21682308
UniProtQ56185|HPPE_STRWE (S)-2-hydroxypropylphosphonic acid epoxidase (Gene Name=hppE)

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