Structure of PDB 8cbc Chain B Binding Site BS01

Receptor Information

>8cbc Chain B (length=449) Species: 1920207 (Thermothelomyces)

GTTLTVDLSTTYQRIDGFGTSEAFQRAVQMSRLPEEGQRRALDVLFSTTN
GAGLSILRNGIGSSPDMSSDHMVSIAPKSPGSPNNPLIYSWDGSDNKQLW
VSQEAVHTYGVKTIYADAWSAPGYMKTNGNDANGGTLCGLSGAQCASGDW
RQAYADYLTKYVEFYQESNVTVTHLGFINAPELTTSYASMRFSASQAAEF
IRILYPTIQKSNLTYKPTIACCDAEGWNSQAGMLGALSSVNSMFGLVTAH
AYTSQPGFSMNTPHPVWMTAAADLQGAWTSAWYSYGGAGEGWTWANNVYN
AIVNGNASAYLYWIGAQTGNTNSHMVHIDANAGTVEPSKRLWALGQWSRF
VRPGARRVAVSGASGSLRTAAFRNEDGSVAVVVINSGGDAAVNVRLASSS
SADQQPASAKAWATDNSRAIEEIQASFADGVATVNVPSRSMTTVVLYPA

Ligand information

• Ligand ID: XLS
• InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
• InChIKey: PYMYPHUHKUWMLA-VPENINKCSA-N
• SMILES:
  ACDLabs 10.04: O=CC(O)C(O)C(O)CO
  CACTVS 3.341: OC[CH](O)[CH](O)[CH](O)C=O
  OpenEye OEToolkits 1.5.0: C([C@H]([C@@H]([C@H](C=O)O)O)O)O
  CACTVS 3.341: OC[C@@H](O)[C@H](O)[C@@H](O)C=O
  OpenEye OEToolkits 1.5.0: C(C(C(C(C=O)O)O)O)O
• Formula: C5 H10 O5
• Name: D-xylose;
  D-XYLOSE (LINEAR FORM)
• ChEMBL: CHEMBL1236821
• DrugBank: DB09419
• ZINC: ZINC000018168715
• PDB chain: 8cbc Chain F Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cbc Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): E233 Y260
• Binding residue (residue number reindexed from 1): E225 Y252
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.-

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:8cbc, PDBe:8cbc, PDBj:8cbc
• PDBsum: 8cbc
• PubMed: 38678481
• UniProt: G2Q1N4|XY30A_THET4 GH30 family xylanase (Gene Name=Xyn30A)