Structure of PDB 8y1m Chain A Binding Site BS06

Receptor Information

>8y1m Chain A (length=358) Species: 502601 (Bacillus sp. TAR1)

DQPFAWQVASLSERYQEQFDIGAAVEPYQLEGRQAQILKHHYNSLVAENA
MKPESLQPREGEWNWEGADKIVEFARKHNMELRFHTLVWHSQVPEWFFID
EDGNRMVDETDPDKREANKQLLLERMENHIKTVVERYKDDVTSWDVVNEV
IDDGGGLRESEWYQITGTDYIKVAFETARKYGGEEAKLYINDYNTEVPSK
RDDLYNLVKDLLEQGVPIDGVGHQSHIQIGWPSIEDTRASFEKFTSLGLD
NQVTELDMSLYGWPPTGAYTSYDDIPAELLQAQADRYDQLFELYEELAAD
ISSVTFWGIADNHTWLDGRAREYNNGVGIDAPFVFDHNYRVKPAYWRIID
LEHHHHHH

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 8y1m Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8y1m Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D21 E82
• Binding residue (residue number reindexed from 1): D20 E81
• Annotation score: 4

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

External links

• PDB: RCSB:8y1m, PDBe:8y1m, PDBj:8y1m
• PDBsum: 8y1m
• PubMed: 38565938
• UniProt: P07528|XYNA_HALH5 Endo-1,4-beta-xylanase A (Gene Name=xynA)