Structure of PDB 2bf6 Chain A Binding Site BS02

Receptor Information

>2bf6 Chain A (length=448) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VEGAVKTEPVDLFHPGFLNSSNYRIPALFKTKEGTLIASIDARRHGGADA
PNNDIDTAVRRSEDGGKTWDEGQIIMDYPDKSSVIDTTLIQDDETGRIFL
LVTHFPSKYGFWNAGLGSGFKNIDGKEYLCLYDSSGKEFTVRENVVYDKD
SNKTEYTTNALGDLFKNGTKIDNINSSTAPLKAKGTSYINLVYSDDDGKT
WSEPQNINFQVKKDWMKFLGIAPGRGIQIKNGEHKGRIVVPVYYTNEKGK
QSSAVIYSDDSGKNWTIGESPNDNRKLENGKIINSKTLSDDAPQLTECQV
VEMPNGQLKLFMRNLSGYLNIATSFDGGATWDETVEKDTNVLEPYCQLSV
INYSQKVDGKDAVIFSNPNARSRSNGTVRIGLINQVGTYENGEPKYEFDW
KYNKLVKPGYYAYSCLTELSNGNIGLLYEGTPSEEMSYIEMNLKYLES

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

2bf6 Chain A Residue 1693 [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	2bf6 The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
Resolution	0.97 Å
Binding residue (original residue number in PDB)	D296 D298 D319 Y320
Binding residue (residue number reindexed from 1)	D54 D56 D77 Y78
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	A290 D291 E539 Y655
Catalytic site (residue number reindexed from 1)	A48 D49 E297 Y413
Enzyme Commision number	3.2.1.18: exo-alpha-sialidase.

Gene Ontology

	Molecular Function
GO:0004308	exo-alpha-sialidase activity

View graph for
Molecular Function

External links

PDB	RCSB:2bf6, PDBe:2bf6, PDBj:2bf6
PDBsum	2bf6
PubMed	18218621
UniProt	Q59310

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