Structure of PDB 2np9 Chain B Binding Site BS02
Receptor Information
>2np9 Chain B (length=422) Species:
55952
(Streptomyces toyocaensis) [
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TDGLWAALTEAAASVEKLLATLPEHGARSSAERAEIAAAHDAARALRVRF
LDTHADAVYDRLTDHRRVHLRLAELVEAAATAFPGLVPTQQQLAVERSLP
QAAKEGHEIDQGIFLRAVLRSPLAGPHLLDAMLRPTPRALELLPEFVRTG
EVEMEAVHLERRDGVARLTMCRDDRLNAEDGQQVDDMETAVDLALLDPGV
RVGLLRGGVMSHPRYRGKRVFSAGINLKYLSQGGISLVDFLMRRELGYIH
KLVRGVLTNDDRPGWWHSPRIEKPWVAAVDGFAIGGGAQLLLVFDRVLAS
SDAYFSLPAAKEGIIPGAANLRLGRFAGPRVSRQVILEGRRIWAKEPEAR
LLVDEVVEPDELDAAIERSLTRLDGDAVLANRRMLNLADESPDGFRAYMA
EFALMQALRLYGHDVIDKVGRF
Ligand information
Ligand ID
OXY
InChI
InChI=1S/O2/c1-2
InChIKey
MYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0
O=O
Formula
O2
Name
OXYGEN MOLECULE
ChEMBL
CHEMBL1234886
DrugBank
DB09140
ZINC
PDB chain
2np9 Chain B Residue 888 [
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Receptor-Ligand Complex Structure
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PDB
2np9
Structural basis for cofactor-independent dioxygenation in vancomycin biosynthesis.
Resolution
2.45 Å
Binding residue
(original residue number in PDB)
A319 G323 I324
Binding residue
(residue number reindexed from 1)
A309 G313 I314
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
I235 G296 Q299 A319
Catalytic site (residue number reindexed from 1)
I225 G286 Q289 A309
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
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:2np9
,
PDBe:2np9
,
PDBj:2np9
PDBsum
2np9
PubMed
17507985
UniProt
Q8KLK7
|DPGC_STRTO (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase (Gene Name=BU52_01220)
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