Structure of PDB 7ouj Chain AAA Binding Site BS02

Receptor Information

>7ouj Chain AAA (length=540) Species: 42684 (Streptomyces collinus)

GPSGSAPVLIVGGSLVGLSTAVFLARHGVRCTLVERHPGTSVHPRAVGYY
PRTGELLRQAGVEDAAVREASGFATHRTRAGVTSLAGEVLFSKEELEGDD
DLGDLTPSRLLLLPQDRLEPLLRDRAVELGADLRFGTELVSFAEDPEGVT
AVLDDGTGGTRTFRSSYLVACDGPRSTVREALKVPRQGRGVLSRHVSIAF
GADLRPVLGDRRYSVVHVKNPQVTGILVHDDTLTGGTLIVGYRPEDGESL
EDFTDDRCAELVGAAVGAPGVEVTIRSRFPWDMAEQVAESFVHGRVLLAG
DAAHVVPPTGGYGANTGIADAHNLAWKLALVAAGVAGPGLVETYDAERRP
VAVYTAEQGSLQLALRSGTATPEQQAAVADAVTVTSGQAYRSTAVVGEPD
GADLPVASDPRELRGAPGTRAPYVELLRGGETVSTLDLFGRDFVLLTGEH
GREWISAAVSASAGLGLKITARRVVPGTDAGAGTLADPDGDWSERYGGLR
PEGAVLVRPDGVVAWRSPGADPGGEESAVLAAVLRSVLAR

Ligand information

• Ligand ID: 1JW
• InChI: InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1
• InChIKey: ZWVMLYRJXORSEP-LURJTMIESA-N
• SMILES:
  CACTVS 3.385: OCCCC[CH](O)CO
  OpenEye OEToolkits 2.0.7: C(CCO)C[C@@H](CO)O
  CACTVS 3.385: OCCCC[C@H](O)CO
  OpenEye OEToolkits 2.0.7: C(CCO)CC(CO)O
• Formula: C6 H14 O3
• Name: (2S)-hexane-1,2,6-triol;
  (-)-1,2,6-Hexanetriol;
  6999990
• ZINC: ZINC000002041111
• PDB chain: 7ouj Chain AAA Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ouj Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis.
• Resolution: 1.573 Å
• Binding residue (original residue number in PDB): P52 R53 V236 G244 T245
• Binding residue (residue number reindexed from 1): P44 R45 V228 G236 T237
• Annotation score: 1

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

External links

• PDB: RCSB:7ouj, PDBe:7ouj, PDBj:7ouj
• PDBsum: 7ouj
• PubMed: 34652045
• UniProt: Q8KY42