Structure of PDB 3qdh Chain A Binding Site BS01

Receptor Information

>3qdh Chain A (length=271) Species: 1655 (Actinomyces naeslundii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ISVEKSIQEQKLNGYGVGSLIKFPVSSTAPTLDAKSFYKYFQLRDTLDDR
LTAVTATEVSLEGTTLDPTDYKVDTKGQTVTVTFTAEGLKRIKAAPGKKV
SAVFQGKVTEARNGAITNRAQVISDTVYAEQPPTPEEPPANPENPPTSNE
VTSRWGDLLIKKVGLQGAQFQLYKAKNAYAGTCTKDKEGDPIAINGETTL
TTDAQGAINVKGLFISDSIDGANRDNQKDATARCYVLVETKAPAGYVLPA
GDGAVTPVKIEVNVTIENTKQ

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

3qdh Chain A Residue 1 [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	3qdh Two autonomous structural modules in the fimbrial shaft adhesin FimA mediate Actinomyces interactions with streptococci and host cells during oral biofilm development.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	D268 D271 E288
Binding residue (residue number reindexed from 1)	D67 D70 E87
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:3qdh, PDBe:3qdh, PDBj:3qdh
PDBsum	3qdh
PubMed	21696465
UniProt	O68212

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