Structure of PDB 4qaw Chain D Binding Site BS01

Receptor Information
>4qaw Chain D (length=531) Species: 198119 (Paenibacillus barcinonensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASDANINLSSEKQLIKGFGGINHPAWIGDLTAAQRETAFGNGQNQLGFSI
LRIYVDDNRNNWYREVATAKRAIEQGALVFASPWNPPSDMVETFNRNGAS
AKRLKYDKYAAYAQHLNDFVTFMKNNGVDLYAISVQNEPDYAHDWTWWTP
QEILRFMKENAGSIQGTRVMAPESFQYLKNISDPILNDPQALANMDILGA
HTYGTQIKDFAYPLFKQKGAGKELWMTEVYVPNSDNNSADRWPEALDVSY
HMHNAMVEGDFQAYVWWYIRRQYGPMKEDGTISKRGYNMAHFSKFVRPGY
VRVDATKNPDTNTYVSAYKGDNKVVIVAINRGTSAASQRFVLQNGNASTV
SSYVTDSSRNLASLAPINVSNGAFTAQLPAQSVTTFVANLSGGNSGGNTG
TTYEAETGTTLTDAVVETLYPGYTGSGYVNFNAYTNSAIEWNAINNMTTG
TKNVKFRYALESGTRNLDIYVNGTKVLSNEPFTETGSWSTWGEKTIQVAM
NSGVNTLRIVTTGTEGPNMDNITVTASAKGE
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 chain4qaw Chain D Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qaw Structural Analysis of Glucuronoxylan-specific Xyn30D and Its Attached CBM35 Domain Gives Insights into the Role of Modularity in Specificity.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E407 E409 T427 G430 D523
Binding residue
(residue number reindexed from 1)		E404 E406 T424 G427 D520
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004348 glucosylceramidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0031176 endo-1,4-beta-xylanase activity
GO:0046872 metal ion binding
Biological Process
GO:0006665 sphingolipid metabolic process
GO:0045493 xylan catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4qaw, PDBe:4qaw, PDBj:4qaw
PDBsum4qaw
PubMed25202007
UniProtH6WCZ0

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