Structure of PDB 3pg2 Chain A Binding Site BS02

Receptor Information

>3pg2 Chain A (length=315) Species: 216466 (Streptococcus agalactiae serogroup V) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DEPKTDKDVKKLGQDDAGYTIGEEFKWFLKSTIPANLGDYEKFEITDKFA
DGLTYKSVGKIKIGSKTLNRDEHYTIDEPTVDNQNTLKITFKPEKFKEIA
ELLKGMTLVKNQDALDKATANTDDAAFLEIPVASTINEKAVLGKAIENTF
ELQYDHTPDKADNPKPSNPPRKPEVHTGGKRFVKKDSTETQTLGGAEFDL
LASDGTAVKWTDALIKANTNKNYIAGEAVTGQPIKLKSHTDGTFEIKGLA
YAVDANAEGTAVTYKLKETKAPEGYVIPDKEIEFTVSQTSYNTKPTDITV
DSADATPDTIKNNKR

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

3pg2 Chain A Residue 2 [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	3pg2 A Model for Group B Streptococcus Pilus Type 1: The Structure of a 35-kDa C-Terminal Fragment of the Major Pilin GBS80.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	E244 D358 T360 D362 A364 N366
Binding residue (residue number reindexed from 1)	E41 D155 T157 D159 A161 N163
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:3pg2, PDBe:3pg2, PDBj:3pg2
PDBsum	3pg2
PubMed	21333654
UniProt	Q8E0S9

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