Structure of PDB 7ouj Chain AAA Binding Site BS03

Receptor Information
>7ouj Chain AAA (length=540) Species: 42684 (Streptomyces collinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPSGSAPVLIVGGSLVGLSTAVFLARHGVRCTLVERHPGTSVHPRAVGYY
PRTGELLRQAGVEDAAVREASGFATHRTRAGVTSLAGEVLFSKEELEGDD
DLGDLTPSRLLLLPQDRLEPLLRDRAVELGADLRFGTELVSFAEDPEGVT
AVLDDGTGGTRTFRSSYLVACDGPRSTVREALKVPRQGRGVLSRHVSIAF
GADLRPVLGDRRYSVVHVKNPQVTGILVHDDTLTGGTLIVGYRPEDGESL
EDFTDDRCAELVGAAVGAPGVEVTIRSRFPWDMAEQVAESFVHGRVLLAG
DAAHVVPPTGGYGANTGIADAHNLAWKLALVAAGVAGPGLVETYDAERRP
VAVYTAEQGSLQLALRSGTATPEQQAAVADAVTVTSGQAYRSTAVVGEPD
GADLPVASDPRELRGAPGTRAPYVELLRGGETVSTLDLFGRDFVLLTGEH
GREWISAAVSASAGLGLKITARRVVPGTDAGAGTLADPDGDWSERYGGLR
PEGAVLVRPDGVVAWRSPGADPGGEESAVLAAVLRSVLAR
Ligand information
Ligand ID1JW
InChIInChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1
InChIKeyZWVMLYRJXORSEP-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCCCC[CH](O)CO
OpenEye OEToolkits 2.0.7C(CCO)C[C@@H](CO)O
CACTVS 3.385OCCCC[C@H](O)CO
OpenEye OEToolkits 2.0.7C(CCO)CC(CO)O
FormulaC6 H14 O3
Name(2S)-hexane-1,2,6-triol;
(-)-1,2,6-Hexanetriol;
6999990
ChEMBL
DrugBank
ZINCZINC000002041111
PDB chain7ouj Chain AAA Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ouj Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis.
Resolution1.573 Å
Binding residue
(original residue number in PDB)		T232 G249 E256 D260 F261
Binding residue
(residue number reindexed from 1)		T224 G241 E248 D252 F253
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
GO:0071949 FAD binding
Biological Process
GO:0006744 ubiquinone biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ouj, PDBe:7ouj, PDBj:7ouj
PDBsum7ouj
PubMed34652045
UniProtQ8KY42

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