Structure of PDB 4qb6 Chain A Binding Site BS03

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4qb6 Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		E18 E20 T38 G41 D134
Binding residue
(residue number reindexed from 1)		E6 E8 T26 G29 D122
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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