Structure of PDB 8p67 Chain A Binding Site BS03

Receptor Information

>8p67 Chain A (length=444) Species: 78579 (Thermothelomyces thermophilus)

QAGTTLTVDLSTTYQRIDGFGTSEAFQRAVQMSRLPEEGQRRALDVLFST
TNGAGLSILRNGIGSSPDMSSDHMVSIAPKSPGSPNNPLIYSWDGSDNKQ
LWVSQEAVHTYGVKTIYADAWSAPGYMKTNGNDANGGTLCGLSGAQCASG
DWRQAYADYLTKYVEFYQESNVTVTHLGFINAPELTTSYASMRFSASQAA
EFIRILYPTIQKSNLTYKPTIACCDAEGWNSQAGMLGALSSVNSMFGLVT
AHAYTSQPGFSMNTPHPVWMTAAADLQGAWTSAWYSYGGAGEGWTWANNV
YNAIVNGNASAYLYWIGAQTGNTNSHMVHIDANAGTVEPSKRLWALGQWS
RFVRPGARRVAVSGASGSLRTAAFRNEDGSVAVVVINSGGDAAVNVRLAQ
PASAKAWATDNSRAIEEIQASFADGVATVNVPSRSMTTVVLYPA

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: 8p67 Chain D Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8p67 Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan.
• Resolution: 1.37 Å
• Binding residue (original residue number in PDB): D78 Y195
• Binding residue (residue number reindexed from 1): D72 Y189
• 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:8p67, PDBe:8p67, PDBj:8p67
• PDBsum: 8p67
• PubMed: 38678481
• UniProt: G2Q1N4|XY30A_THET4 GH30 family xylanase (Gene Name=Xyn30A)