Structure of PDB 3was Chain A Binding Site BS01

Receptor Information
>3was Chain A (length=389) Species: 272559 (Bacteroides fragilis NCTC 9343) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLFNDKVAKLLAGHEALLMRKNEPVEEGNGVITRYRYPVLTAAHTPVFWR
YDLNEETNPFLMERIGMNATLNAGAIKWDGKYLMLVRVEGADRKSFFAVA
ESPNGIDNFRFWEYPVTLPEDVVPATNVYDMRLTAHEDGWIYGIFCAERH
DDNAPIGDLSSATATAGIARTKDLKNWERLPDLKTKSQQRNVVLHPEFVD
GKYALYTRPQDGFIDTGSGGGIGWALIDDITHAEVGEEKIIDKRYYHTIK
EVKNGEGPHPIKTPQGWLHLAHGVRNCAAGLRYVLYMYMTSLDDPTRLIA
SPAGYFMAPVGEERIGDVSNVLFSNGWIADDDGKVFIYYASSDTRMHVAT
STIERLVDYCLHTPQDGFSSSASVEILKNLIERNLRLMK
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 chain3was Chain C 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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PDB3was Structure of Novel Enzyme in Mannan Biodegradation Process 4-O-beta-d-Mannosyl-d-Glucose Phosphorylase MGP
Resolution1.5 Å
Binding residue
(original residue number in PDB)		R88 R94 R191
Binding residue
(residue number reindexed from 1)		R87 R93 R190
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.1.281: 4-O-beta-D-mannosyl-D-glucose phosphorylase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0071555 cell wall organization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3was, PDBe:3was, PDBj:3was
PDBsum3was
PubMed23954514
UniProtQ5LH68|MGP_BACFN 4-O-beta-D-mannosyl-D-glucose phosphorylase (Gene Name=BF0772)

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