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Receptor Information

>6vw4 Chain A (length=135) Species: 479433 (Catenulispora acidiphila DSM 44928) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QAALYAEVQQHQARQMHALDEGKFEEYADTFTPDGVFRHTPGRDPAIGRE
AIVRELNEFHERYAPVQRRHMFTMLAIDEDSAVQADFYTLVLTTRVDGLT
VGPSCPVRDVLVRGADGRLLTASRWVEHDNRTVAE

Ligand ID

SDN

InChI

InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1

InChIKey

HHXSOTFPYPQSBU-NSHDSACASA-N

SMILES

Software	SMILES
CACTVS 3.341	CC1=C2C(=Cc3cccc(O)c3C2=O)C[C@@H](CC(O)=O)O1
ACDLabs 10.04	O=C2c1c(O)cccc1C=C3C2=C(OC(C3)CC(=O)O)C
OpenEye OEToolkits 1.5.0	CC1=C2C(=Cc3cccc(c3C2=O)O)CC(O1)CC(=O)O
OpenEye OEToolkits 1.5.0	CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O
CACTVS 3.341	CC1=C2C(=Cc3cccc(O)c3C2=O)C[CH](CC(O)=O)O1

Formula

C16 H14 O5

Name

[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid;
4,10-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho-[2,3-c]-pyran-3-(S)-acetic acid

PDB chain

6vw4 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6vw4 Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis.
Resolution	2.35 Å
Binding residue (original residue number in PDB)	M22 Y33 F43 F65 R76 F80 T102 R137 H141
Binding residue (residue number reindexed from 1)	M16 Y27 F37 F59 R68 F72 T89 R124 H128
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0051213	dioxygenase activity

PDB	RCSB:6vw4, PDBe:6vw4, PDBj:6vw4
PDBsum	6vw4
PubMed	32744249
UniProt	C7PWR4

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Structure of PDB 6vw4 Chain A Binding Site BS01