Structure of PDB 2gdu Chain B Binding Site BS01

Receptor Information
>2gdu Chain B (length=504) Species: 1680 (Bifidobacterium adolescentis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKNKVQLITYADRLGDGTIKSMTDILRTRFDGVYDGVHILPFFTPFDGAD
AGFDPIDHTKVDERLGSWDDVAELSKTHNIMVDAIVNHMSWESKQFQDVL
AKGEESEYYPMFLTMSSVFPNGATEEDLAGIYRPRPGLPFTHYKFAGKTR
LVWVSFTPQQVDIDTDSDKGWEYLMSIFDQMAASHVSYIRLDAVGYGAKE
AGTSCFMTPKTFKLISRLREEGVKRGLEILIQVHSYYKKQVEIASKVDRV
YDFALPPLLLHALSTGHVEPVAHWTDIRPNNAVTVLDTHDGIGVIDIGSD
QLDRSLKGLVPDEDVDNLVNTIHANTHGESQAATGAAASNLDLYQVNSTY
YSALGCNDQHYIAARAVQFFLPGVPQVYYVGALAGKNDMELLRKTNNGRD
INRHYYSTAEIDENLKRPVVKALNALAKFRNELDAFDGTFSYTTDDDTSI
SFTWRGETSQATLTFEPKRGLGVDNTTPVAMLEWEDSAGDHRSDDLIANP
PVVA
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2gdu Chain D Residue 1 [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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PDB2gdu Structural Rearrangements of Sucrose Phosphorylase from Bifidobacterium adolescentis during Sucrose Conversion
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D50 F53 H88 F156 D192 Q232 H289 D290 R399
Binding residue
(residue number reindexed from 1)		D50 F53 H88 F156 D192 Q232 H289 D290 R399
Annotation score2
Enzymatic activity
Enzyme Commision number 2.4.1.7: sucrose phosphorylase.
Gene Ontology
Molecular Function
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0009018 sucrose phosphorylase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2gdu, PDBe:2gdu, PDBj:2gdu
PDBsum2gdu
PubMed16990265
UniProtA0ZZH6|SUCP_BIFAA Sucrose phosphorylase (Gene Name=sucP)

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