Structure of PDB 3wat Chain A Binding Site BS03

Receptor Information
>3wat 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 chain3wat Chain A Residue 403 [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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PDB3wat Structure of Novel Enzyme in Mannan Biodegradation Process 4-O-beta-d-Mannosyl-d-Glucose Phosphorylase MGP
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R88 R94 Y130 R191 F214
Binding residue
(residue number reindexed from 1)		R87 R93 Y129 R190 F213
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3wat, PDBe:3wat, PDBj:3wat
PDBsum3wat
PubMed23954514
UniProtQ5LH68|MGP_BACFN 4-O-beta-D-mannosyl-D-glucose phosphorylase (Gene Name=BF0772)

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