Structure of PDB 3sch Chain A Binding Site BS01

Receptor Information
>3sch Chain A (length=194) Species: 43759 (Streptomyces wedmorensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTASTGFAELLKDRREQVKMDHAALASLLGETPETVAAWENGEGGELTLT
QLGRIAHVLGTSIGALTPPAGNDLDDGVIIQMPDERPILKGVRDNVDYYV
YNCLVRTKRAPSLVPLVVDVLTDNPDDAKFNSGHAGNEFLFVLEGEIHMK
WGDKENPKEALLPTGASMFVEEHVPHAFTAAKGTGSAKLIAVNF
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 chain3sch Chain A Residue 199 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3sch Structural basis of regiospecificity of a mononuclear iron enzyme in antibiotic fosfomycin biosynthesis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N135 H138 E142
Binding residue
(residue number reindexed from 1)		N131 H134 E138
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3sch, PDBe:3sch, PDBj:3sch
PDBsum3sch
PubMed21682308
UniProtQ56185|HPPE_STRWE (S)-2-hydroxypropylphosphonic acid epoxidase (Gene Name=hppE)

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