Structure of PDB 8idq Chain D Binding Site BS02

Receptor Information

>8idq Chain D (length=446) Species: 128442 (Talaromyces pinophilus)

WSYSQTLSANIQVNALQRYQEMIGGGCSGAFGWACQQFPTTGLTPENQEE
VTKILFDENIGGLSIVRNDIGSSPGSTILPTCPATPAGPFNYQWDGSDSC
QFNLTKTALKYNPELYVYANAWSAPGCMKTVGTENDGGQICGVRGTNCTY
DWRQAYADYLVQYVKFYQAEGIDISLLGAWNEPDFNPVTYESMESDGFQA
KDFLEILYPTVKKAFPNLDVSCCDATGARQERNILYEVQQAGGEHFFDVA
TWHNYQSSPERPFNVVGKPNIMTEWADGSGPWNTTWDVSGQLAEGLQWAL
YMHNAFTNSDTSGYNHWWCAGGGADNVLISITGNSYEVSSRLWAFASYFR
FARPGSVRIGATSSVENVYVSAYENKNGTVSIPVINAAHFPYEVTIDLQG
LKARKRVSTFLTDNSHNVTLMDQSELHGSVLKATVPPRAVQVFWLE

Ligand information

• Ligand ID: XYP
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-KKQCNMDGSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-xylopyranose;
  beta-D-xylose;
  D-xylose;
  xylose
• ZINC: ZINC000001529215
• PDB chain: 8idq Chain D Residue 1306

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8idq Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): E198 Y271 Q272
• Binding residue (residue number reindexed from 1): E182 Y255 Q256
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004348 glucosylceramidase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0006665 sphingolipid metabolic process
• GO:0045493 xylan catabolic process

External links

• PDB: RCSB:8idq, PDBe:8idq, PDBj:8idq
• PDBsum: 8idq
• PubMed: 37144255
• UniProt: A0A0B8MZ29