Structure of PDB 7oud Chain AAA Binding Site BS02

Receptor Information
>7oud Chain AAA (length=527) Species: 195040 (Streptomyces sp. JP95) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTRVLIVGGSLVGLSTAVFLAHHDVPVTLVERHPGTSIHPRAVGYYPRTA
ELLATVGVEAPAKAAASGFEKHRTRAGVESLAGEVLFSKEELADLTPSSL
LLLPQDRLEPILRARAEELGAELRFGAELRSFTQDADGVSAVVRDADGGE
SVVRADYLVAADGPRSTVREALGIGREGRGVLSRHVSIAFGADFAAVLGE
RRYSVVHVQNDRVTGILVHDDTLTEGTLIVGYDPEKGEGLDDFTDARCAE
LVSAAIGSDDVAVTIRSRFPWDMAELVADAFVSDRVLVAGDAAHQIPPTG
GYGANTGIADAFNLSWKLAHVLAGTAGRALLDTYDEERRPVGLYTARQGS
LQLAVRSRTATEEQREAAHDAMRVTMGQAYPSGAFVADAGADPLPLTSDP
RTLRGEPGTRAPYVVLERDGAPLSTLDLFGDGFVLLVGADGGSWAEAAGE
AAAGLGVGIAFHRVAPDAGEGRPVDVHGRWAEAYGVGAAGAVLVRPDGIV
AWRSRDGMPGGAGGRALTAALRTVLAR
Ligand information
Ligand ID1J0
InChIInChI=1S/C27H18O12/c1-8-5-10-6-9-3-4-26(36)23(33)16-17(24(34)27(26,37)18(9)22(32)13(10)25(35)39-8)21(31)15-14(20(16)30)11(28)7-12(38-2)19(15)29/h5-7,32-34,36-37H,3-4H2,1-2H3/t26-,27+/m0/s1
InChIKeyRIDFNHJMBSRPNA-RRPNLBNLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=Cc2cc3c(c(c2C(=O)O1)O)[C@]4(C(=C5C(=C([C@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O
CACTVS 3.385COC1=CC(=O)C2=C(C1=O)C(=O)C3=C(O)[C]4(O)c5c(O)c6C(=O)OC(=Cc6cc5CC[C]4(O)C(=C3C2=O)O)C
OpenEye OEToolkits 2.0.7CC1=Cc2cc3c(c(c2C(=O)O1)O)C4(C(=C5C(=C(C4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O
CACTVS 3.385COC1=CC(=O)C2=C(C1=O)C(=O)C3=C(O)[C@]4(O)c5c(O)c6C(=O)OC(=Cc6cc5CC[C@]4(O)C(=C3C2=O)O)C
FormulaC27 H18 O12
NameCollinone;
135469160
ChEMBL
DrugBank
ZINC
PDB chain7oud Chain AAA Residue 602 [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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PDB7oud Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V47 R79 S214 H217 M283 P308 R366 S367
Binding residue
(residue number reindexed from 1)		V43 R75 S204 H207 M273 P298 R356 S357
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004497 monooxygenase activity
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:7oud, PDBe:7oud, PDBj:7oud
PDBsum7oud
PubMed34652045
UniProtQ8KSX7

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