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Receptor Information

>5yun Chain B (length=103) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GVNKVILVGNVGGDPETRYMPNGNAVTNITLATSESWQERTEWHRVVFFG
RLAEIAGEYLRKGSQVYVEGSLRTRKWQGQDGQDRYTTEIVVDINGNMQL
LGG

Ligand ID

MYC

InChI

InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H

InChIKey

IKMDFBPHZNJCSN-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
CACTVS 3.341	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O

Formula

C15 H10 O8

Name

3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;
2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE;
3,3',4',5,5',7-HEXAHYDROXYFLAVONE;
MYRICETIN;
CANNABISCETIN

PDB chain

5yun Chain B 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	5yun Crystal structure of SSB complexed with inhibitor myricetin.
Resolution	2.67 Å
Binding residue (original residue number in PDB)	R62 I105 N106 G107
Binding residue (residue number reindexed from 1)	R51 I94 N95 G96
Annotation score	1
Binding affinity	PDBbind-CN: -logKd/Ki=5.52,IC50=3uM

Enzyme Commision number

	Molecular Function
GO:0003697	single-stranded DNA binding

	Biological Process
GO:0006260	DNA replication

PDB	RCSB:5yun, PDBe:5yun, PDBj:5yun
PDBsum	5yun
PubMed	30213633
UniProt	P40947\|SSB_PSEAE Single-stranded DNA-binding protein (Gene Name=ssb)

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Structure of PDB 5yun Chain B Binding Site BS01