Structure of PDB 2gdv Chain A Binding Site BS01

Receptor Information
>2gdv Chain A (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
AGTSCFMTPKTFKLISRLREEGVKRGLEILIEVHSYYKKQVEIASKVDRV
YDFALPPLLLHALSTGHVEPVAHWTDIRPNNAVTVLDTHDGIGVIDIGSD
QLDRSLKGLVPDEDVDNLVNTIHANTHGESQAATGAAASNLDLYQVNSTY
YSALGCNDQHYIAARAVQFFLPGVPQVYYVGALAGKNDMELLRKTNNGRD
INRHYYSTAEIDENLKRPVVKALNALAKFRNELDAFDGTFSYTTDDDTSI
SFTWRGETSQATLTFEPKRGLGVDNTTPVAMLEWEDSAGDHRSDDLIANP
PVVA
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain2gdv Chain A Residue 700 [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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PDB2gdv Structural rearrangements of Sucrose Phosphorylase from Bifidobacterium adolescentis during sucrose conversion
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D50 F53 H88 F156 D192 E232 H289 D290 R399
Binding residue
(residue number reindexed from 1)		D50 F53 H88 F156 D192 E232 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:2gdv, PDBe:2gdv, PDBj:2gdv
PDBsum2gdv
PubMed
UniProtA0ZZH6|SUCP_BIFAA Sucrose phosphorylase (Gene Name=sucP)

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