Structure of PDB 3wat Chain A Binding Site BS02

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 IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3wat Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		V311 G312 R315
Binding residue
(residue number reindexed from 1)		V310 G311 R314
Annotation score1
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
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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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