Structure of PDB 4hiz Chain A Binding Site BS03

Receptor Information
>4hiz Chain A (length=658) Species: 948870 (Escherichia phage phi92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WIIDGRNLTFKVTTLPDISKFKNAAFVYERIVGQPLTYVSEGFFDGNLTK
ITDTPFYNAWTQDKTFVYDNVIYAPFMAGERHGVQNLHVAWVKSGDDGQT
WSMPEWLTPIHPDYTADKVNYHCMSMGVCGNRLYAVIETRYLSNMRLKKA
ELWSRPMPYYRRPTGGITISSGSTTATIVLKKHGLKVGDAVNFSNSGATG
VSGNMTVASVINKDTFTVTLARAATSNIDNTGTTWHFGTRFWDSPWEITE
LPDVAYSTNADLCVTETHSFTVIDDDNYTFAVGYHNGDISPRRLGILYFN
NAYSDPSSFTRRTISQEYADNAAEPCIKYYDGILYLTTRGTSTSAAGSTL
AMSADLGENWNYLRFPNNVHHTNLPFAKVGDYLYIFGTERSFGEWEGQEL
DNRYKGTYPRTFMCKINVSSWPVSLSNVQWFNITDQIYQGHIVNSACGVG
SVCVKDGWLYYIFGGEDFLSPWSIGDNSKKLWYKHDGHPADLYSYRLKIT
EHDFVSRDFKYGATPNRTLPVSMGTDGVRHVSAPVTFDNDVQMYSLTVTG
LEHDGTQQSAVRVKLDGDYGVIAKNIPIKNPSEQRLILCGGETPYTTDGS
LLQLYGSNHTYPNRAILYAPGGAYTQNNFMPYLDGQVSLGGASNRWSEVY
ASTGTINT
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain4hiz Chain G Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4hiz Crystal Structure of Endosialidase from Phage phi92 that cleaves alpha2,8- and alpha2,9-linked polysialic acid
Resolution1.601 Å
Binding residue
(original residue number in PDB)		Y219 E249 I346
Binding residue
(residue number reindexed from 1)		Y121 E151 I248
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y155 H180 E422 R437 R488
Catalytic site (residue number reindexed from 1) Y57 H82 E324 R339 R390
Enzyme Commision number 3.2.1.129: endo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0016996 endo-alpha-(2,8)-sialidase activity

View graph for
Molecular Function
External links
PDB RCSB:4hiz, PDBe:4hiz, PDBj:4hiz
PDBsum4hiz
PubMed
UniProtI7HXG2

[Back to BioLiP]