Structure of PDB 7p26 Chain AAA Binding Site BS01

Receptor Information
>7p26 Chain AAA (length=484) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKPNVIIILADDLGYGDLECYGTTRVHTPNVNRLASEGIRFTNVHATAST
STPSRYALLTGEYAWRKKGTGVAAGNAGMIIRPEQYTIADMFKSADYTTG
AIGKWHLGLGDKTGTQDWNGTISPALKDIGFDYSYIMAATADRVPCIYIE
NGKVADYDSTAPIEVSYQKPFEGEPTGRKNPELLYNLKPSHGHDMAIVNG
ISRIGYMKGGGKALWKDENIADTITSHAIRFIEENKERPFFLYFATNDVH
VPRFPHERFRGKNPMGLRGDAIVQFDWSVGEIMKTLDRLGLTENTLIILS
SDNGPVLDDGYDDKAVELAGSHKPGGPFRGGKYSAFEAGTCVPAIVRYPA
QVKKNQTLNTLLSQIDWIQSLASLVNVTIPQSKAPDSQNHLDSWLGKSKK
DRPWVIEESNILALSVRKGKWKYIEPSNGSPMITWGPKIETGYAPYDQLF
DMNKSEFESENLAPKYPAIVKEMKDILVQERAKG
Ligand information
Ligand IDP4K
InChIInChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3
InChIKeyWWPGFZAAWXFBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 12.01OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
FormulaC30 H62 O15
Namepolyethylene glycol;
3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
ChEMBL
DrugBank
ZINC
PDB chain7p26 Chain AAA Residue 602 [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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PDB7p26 Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		P433 K448 I499 E502
Binding residue
(residue number reindexed from 1)		P403 K418 I469 E472
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7p26, PDBe:7p26, PDBj:7p26
PDBsum7p26
PubMed35710619
UniProtQ89YV0

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