Structure of PDB 4qaw Chain E Binding Site BS02

Receptor Information
>4qaw Chain E (length=529) 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
SSYVTDSSRNLASLAPINVSNGAFTAQLPAQSVTTFVANLSGGNSGTGTT
YEAETGTTLTDAVVETLYPGYTGSGYVNFNAYTNSAIEWNAINNMTTGTK
NVKFRYALESGTRNLDIYVNGTKVLSNEPFTETGSWSTWGEKTIQVAMNS
GVNTLRIVTTGTEGPNMDNITVTASAKGE
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 E Residue 1001 [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)		N433 E518
Binding residue
(residue number reindexed from 1)		N428 E513
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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