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BioLiP

Structure of PDB 1w0o Chain A Binding Site BS03

Receptor Information
>1w0o Chain A (length=753) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALFDYNATGDTEFDSPAKQGWMQDNTNNGSGVLTNADGMPAWLVQGIGGR
AQWTYSLSTNQHAQASSFGWRMTTEMKVLSGGMITNYYANGTQRVLPIIS
LDSSGNLVVEFEGQTGRTVLATGTAATEYHKFELVFLPGSNPSASFYFDG
KLIRDNIQPTASKQNMIVWGNGSSNTDGVAAYRDIKFEIQGDVIFRGPDR
IPSIVASSVTPGVVTAFAEKRVGGGDPGALSNTNDIITRTSRDGGITWDT
ELNLTEQINVSDEFDFSDPRPIYDPSSNTVLVSYARWPTDAAQNGDRIKP
WMPNGIFYSVYDVASGNWQAPIDVTDQVKERSFQIAGWGGSELYRRNTSL
NSQQDWQSNAKIRIVDGAANQIQVADGSRKYVVTLSIDESGGLVANLNGV
SAPIILQSEHAKVHSFHDYELQYSALNHTTTLFVDGQQITTWAGEVSQEN
NIQFGNADAQIDGRLHVQKIVLTQQGHNLVEFDAFYLAQQTPEVEKDLEK
LGWTKIKTGNTMSLYGNASVNPGPGHGITLTRQQNISGSQNGRLIYPAIV
LDRFFLNVMSIYSDDGGSNWQTGSTLPIPFRWKSSSILETLEPSEADMVE
LQNGDLLLTARLDFNQIVNGVNYSPRQQFLSKDGGITWSLLEANNANVFS
NISTGTVDASITRFEQSDGSHFLLFTNPQGNPAGTNGRQNLGLWFSFDEG
VTWKGPIQLVNGASAYSDIYQLDSENAIVIVETDNSNMRILRMPITLLKQ
KLT
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1w0o Chain A Residue 1780 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1w0o Sialic Acid Recognition by Vibrio Cholerae Neuraminidase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		P548 D621 D682 A683
Binding residue
(residue number reindexed from 1)		P524 D597 D658 A659
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
GO:0033691 sialic acid binding

View graph for
Molecular Function
External links
PDB RCSB:1w0o, PDBe:1w0o, PDBj:1w0o
PDBsum1w0o
PubMed15226294
UniProtP0C6E9|NANH_VIBCH Sialidase (Gene Name=nanH)

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