Structure of PDB 8xy0 Chain A Binding Site BS01

Receptor Information
>8xy0 Chain A (length=353) Species: 502601 (Bacillus sp. TAR1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDQPFAWQVASLSERYQEQFDIGAAVEPYQLEGRQAQILKHHYNSLVAEN
AMKPESLQPREGEWNWEGADKIVEFARKHNMELRFHTLVWHSQVPEWFFI
DEDGNRMVDETDPDKREANKQLLLERMENHIKTVVERYKDDVTSWDVVNE
VIDDGGGLRESEWYQITGTDYIKVAFETARKYGGEEAKLYINDYNTEVPS
KRDDLYNLVKDLLEQGVPIDGVGHQSHIQIGWPSIEDTRASFEKFTSLGL
DNQVTELDMSLYGWPPTGAYTSYDDIPAELLQAQADRYDQLFELYEELAA
DISSVTFWGIADNHQWLDGRAREYNNGVGIDAPFVFDHNYRVKPAYWRII
DLE
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 chain8xy0 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8xy0 Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D289 R348 D351
Binding residue
(residue number reindexed from 1)		D289 R348 D351
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031176 endo-1,4-beta-xylanase activity
Biological Process
GO:0045493 xylan catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8xy0, PDBe:8xy0, PDBj:8xy0
PDBsum8xy0
PubMed38565938
UniProtP07528|XYNA_HALH5 Endo-1,4-beta-xylanase A (Gene Name=xynA)

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