Structure of PDB 7f14 Chain A Binding Site BS01

Receptor Information

>7f14 Chain A (length=148) Species: 54899 (Diaporthe longicolla) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PAPAHVQRATIDAFLDGWDKWTPEAFLATWSEDCTQKTLPYSHNVPIRDR
ANTNHLFPILMSIMDNFQLKTHNIVHDAAENKAAVYCSTTADTPFGPYTN
EHAIFLWFNEAGDKIVKIEEMFDQFTMKDFAPQLEKYAQFIDKKNARA

Ligand information

Ligand ID

0BJ

InChI

InChI=1S/C16H14O6/c1-8-6-9(16(21)22-2)13(12(19)7-8)15(20)14-10(17)4-3-5-11(14)18/h3-7,17-19H,1-2H3

InChIKey

HZZOIPFDIKYDFZ-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC
CACTVS 3.385	COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O

Formula

C16 H14 O6

Name

methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate

PDB chain

7f14 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	7f14 Structural Basis for Isomerization Reactions in Fungal Tetrahydroxanthone Biosynthesis and Diversification.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	W19 W22 Q37 L61 Y99 H103 E121 M128 L135
Binding residue (residue number reindexed from 1)	W18 W21 Q36 L60 Y98 H102 E120 M127 L134
Annotation score	1

External links

PDB	RCSB:7f14, PDBe:7f14, PDBj:7f14
PDBsum	7f14
PubMed	34180120

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