Structure of PDB 8yyo Chain B Binding Site BS01

Receptor Information

>8yyo Chain B (length=183) Species: 28896 (Thermoanaerobacterium saccharolyticum)

TTNYWQDWTDGVGTVNASNLAGGQYSVSWTNCGNFVVGKGWSTGSPSRVV
NYNAGAFSPNGNGYLSLYGWTRSPLIEYYVVDDWGSYRPTGTYMGTVTSD
GGTYDIYTATRVNAPSIDGTQTFTQFWSVRQSKRSIGTNNTITFANHVNA
WKSHGMNLGSSWAYQIIATEGYQSSGYANVTVW

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: 8yyo Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8yyo Crystal structure of TsaGH11 complexed with beta-D-xylopyranose (Data II)
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): Q34 W36 Y96 P143 S144 Y192
• Binding residue (residue number reindexed from 1): Q6 W8 Y68 P115 S116 Y164
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.8: endo-1,4-beta-xylanase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0031176 endo-1,4-beta-xylanase activity

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0045493 xylan catabolic process

External links

• PDB: RCSB:8yyo, PDBe:8yyo, PDBj:8yyo
• PDBsum: 8yyo
• UniProt: I3VTR8