Structure of PDB 4qb2 Chain A Binding Site BS03

Receptor Information
>4qb2 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 chain4qb2 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qb2 Structural Analysis of Glucuronoxylan-specific Xyn30D and Its Attached CBM35 Domain Gives Insights into the Role of Modularity in Specificity.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N44 F45 E129
Binding residue
(residue number reindexed from 1)		N32 F33 E117
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:4qb2, PDBe:4qb2, PDBj:4qb2
PDBsum4qb2
PubMed25202007
UniProtH6WCZ0

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