Structure of PDB 1ups Chain A Binding Site BS01

Receptor Information

>1ups Chain A (length=402) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AKDFPANPIEKAGYKLDFSDEFNGPTLDREKWTDYYLPHWCKDPESAKAN
YRFENGSLVEYITEDQKPWCPEHDGTVRSSAIMSFDKSWIHNFSGTTDNH
ERNEWRGYTTKYGYFEIRAKLSNTGGGGHQAWWMVGMQDDTNDWFNSKQT
GEIDILETFFSKKDTWRIAAYGWNDPNFQTSWTISEDKVPSGDPTSEYHI
YAMEWTPTALKFYYDNELFKVIYGSPDYEMGTILNIYTDAGSGAHNDVWP
KEWAIDYMRVWKPVDGYKESLNNYLIRNRQTGKFLYIEENNDKVSYGDIT
LKNEKNAKWSKEYRDGYTLLKNNETGEYLNIENQTGYIEHGKVPKTWWSA
QWSEVPVDGYTRFVNRWKPNMSIHTESYEGVLQYGNVPNTYWTSQWQLIP
VE

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

1ups Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	1ups Three-dimensional structure of GlcNAcalpha1-4Gal releasing endo-beta-galactosidase from Clostridium perfringens.
Resolution	1.82 Å
Binding residue (original residue number in PDB)	E37 N39 G72 D272
Binding residue (residue number reindexed from 1)	E21 N23 G56 D256
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds

	Biological Process
GO:0005975	carbohydrate metabolic process

View graph for
Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:1ups, PDBe:1ups, PDBj:1ups
PDBsum	1ups
PubMed	15688452
UniProt	Q934G8

[Back to BioLiP]