Structure of PDB 2pg8 Chain A Binding Site BS02

Receptor Information
>2pg8 Chain A (length=417) Species: 55952 (Streptomyces toyocaensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTDGLWAALTEAAASVEKLLATLPEHGARSSAERAEIAAAHDAARALRVR
FLDTHADAVYDRLTDHRRVHLRLAELVEAAATAFPGLVPTQQQLAVERSL
PQAAKEGHEIDQGIFLRAVLRSPLAGPHLLDAMLRPTPRALELLPEFVRT
GEVEMEAVHLERRDGVARLTMCRDDRLNAEDGQQVDDMETAVDLALLDPG
VRVGLLRGGVMSHPRYRGKRVFSAGINLKYLSQGGISLVDFLMRKELGYI
HKLVRGVLTNDDRPGWWHSPRIEKPWVAAVDGFAIGGGAQLLLVFDRVLA
SSDAYFSLPAAKEGIIPGAANLRLGRFAGPRVSRQVILEGRRIWAKEPEA
RLLVDEVVEPDELDAAIERSLTRLDGDAVLANRRMLNLADESPDGFRAYM
AEFALMQALRLYGHDVI
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain2pg8 Chain A Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pg8 Substrate Recognition and Catalysis by the Cofactor-Independent Dioxygenase DpgC.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		A319 I324
Binding residue
(residue number reindexed from 1)		A310 I315
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) I235 G296 Q299 A319
Catalytic site (residue number reindexed from 1) I226 G287 Q290 A310
Enzyme Commision number 1.13.11.80: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0042802 identical protein binding
Biological Process
GO:0006635 fatty acid beta-oxidation
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2pg8, PDBe:2pg8, PDBj:2pg8
PDBsum2pg8
PubMed18004875
UniProtQ8KLK7|DPGC_STRTO (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase (Gene Name=BU52_01220)

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