Structure of PDB 3wat Chain A Binding Site BS04

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 IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain3wat Chain A Residue 404 [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]
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)		N73 D131 R191 Y284 F324 D344
Binding residue
(residue number reindexed from 1)		N72 D130 R190 Y283 F323 D343
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:3wat, PDBe:3wat, PDBj:3wat
PDBsum3wat
PubMed23954514
UniProtQ5LH68|MGP_BACFN 4-O-beta-D-mannosyl-D-glucose phosphorylase (Gene Name=BF0772)

[Back to BioLiP]