Structure of PDB 3wau Chain A Binding Site BS03

Receptor Information
>3wau Chain A (length=387) 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
GKYALYTRPQDGDTGSGGGIGWALIDDITHAEVGEEKIIDKRYYHTIKEV
KNGEGPHPIKTPQGWLHLAHGVRNCAAGLRYVLYMYMTSLDDPTRLIASP
AGYFMAPVGEERIGDVSNVLFSNGWIADDDGKVFIYYASSDTRMHVATST
IERLVDYCLHTPQDGFSSSASVEILKNLIERNLRLMK
Ligand information
Ligand IDM1P
InChIInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
InChIKeyHXXFSFRBOHSIMQ-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1O)CO)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
FormulaC6 H13 O9 P
Name1-O-phosphono-alpha-D-mannopyranose;
ALPHA-D-MANNOSE 1-PHOSPHATE;
1-O-phosphono-alpha-D-mannose;
1-O-phosphono-D-mannose;
1-O-phosphono-mannose
ChEMBLCHEMBL291890
DrugBankDB17678
ZINCZINC000004095569
PDB chain3wau Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wau Structure of Novel Enzyme in Mannan Biodegradation Process 4-O-beta-d-Mannosyl-d-Glucose Phosphorylase MGP
Resolution1.7 Å
Binding residue
(original residue number in PDB)		N73 D131 R191 N192 R209 H273 Y284 D344
Binding residue
(residue number reindexed from 1)		N72 D130 R190 N191 R208 H270 Y281 D341
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:3wau, PDBe:3wau, PDBj:3wau
PDBsum3wau
PubMed23954514
UniProtQ5LH68|MGP_BACFN 4-O-beta-D-mannosyl-D-glucose phosphorylase (Gene Name=BF0772)

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