Structure of PDB 2yn3 Chain B Binding Site BS01

Receptor Information

>2yn3 Chain B (length=246) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PNAPVVTYSDIVNDLIIMQGTAEAKSQLIITDSEGNTYTLTVPDNGKWSM
AIPYPSEGKFTITSVDAIGNRSDDVPLDIMKEVPVISLSPDSDSGTVGDN
ITRDKQPTFIIGNLESDVVVVQVDINGTVYNAEKNVWFFTPGTPLADGSY
TISVIASDAAGNQKNSLPITVTIDSTLTVPEIALNVTNHTQPIDADVTGV
TVNVTHNGVTDIYQATAWNDGNYTLSVTVVDRAGNSQQSASLAVTV

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

2yn3 Chain B Residue 6359 [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	2yn3 Structural Insight Into the Giant Ca(2+)-Binding Adhesin Siie: Implications for the Adhesion of Salmonella Enterica to Polarized Epithelial Cells.
Resolution	2.12 Å
Binding residue (original residue number in PDB)	E5136 D5157 I5158 D5196 D5240
Binding residue (residue number reindexed from 1)	E57 D78 I79 D117 D158
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:2yn3, PDBe:2yn3, PDBj:2yn3
PDBsum	2yn3
PubMed	23562396
UniProt	Q8ZKG6

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