Structure of PDB 4qb6 Chain A Binding Site BS01

Receptor Information
>4qb6 Chain A (length=129) Species: 198119 (Paenibacillus barcinonensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGTTYEAETGTTLTDAVVETLYPGYTGSGYVNFNAYTNSAIEWNAINNMT
TGTKNVKFRYALESGTRNLDIYVNGTKVLSNEPFTETGSWSTWGEKTIQV
AMNSGVNTLRIVTTGTEGPNMDNITVTAS
Ligand information
Ligand IDGCU
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
InChIKeyAEMOLEFTQBMNLQ-WAXACMCWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
CACTVS 3.341O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
FormulaC6 H10 O7
Namealpha-D-glucopyranuronic acid;
alpha-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBL
DrugBank
ZINCZINC000004213449
PDB chain4qb6 Chain B Residue 2 [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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PDB4qb6 Structural Analysis of Glucuronoxylan-specific Xyn30D and Its Attached CBM35 Domain Gives Insights into the Role of Modularity in Specificity.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		Y34 N44 R79 W102 E129 N132
Binding residue
(residue number reindexed from 1)		Y22 N32 R67 W90 E117 N120
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:4qb6, PDBe:4qb6, PDBj:4qb6
PDBsum4qb6
PubMed25202007
UniProtH6WCZ0

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