Structure of PDB 5dzg Chain A Binding Site BS03

Receptor Information

>5dzg Chain A (length=197) Species: 29760 (Vitis vinifera)

EAQPLKFIAVDYCPESCTHSPESSTITLTFDHRGGSRWRSTTRFQYGTFS
SLIQCPKGNTSGLNFNIYLSSLEGDKSQDAIDFEFLGKDKRIVQTNYYTA
GTGNREAIHDLGFDCSDGFHEYVIKWGPDLIQWLIDGKVIRSVRADGEGF
PQKPMFLYASVWDASYIDEGRWTGPYVGCDAPYICLYKNVNVPGTAV

Ligand information

• Ligand ID: XYS
• 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-LECHCGJUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: alpha-D-xylopyranose;
  alpha-D-xylose;
  D-xylose;
  xylose;
  XYLOPYRANOSE
• DrugBank: DB03389
• ZINC: ZINC000001529214
• PDB chain: 5dzg Chain C Residue 12

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5dzg Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): R42 G43
• Binding residue (residue number reindexed from 1): R33 G34
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): A89 D91 E93
• Catalytic site (residue number reindexed from 1): A80 D82 E84
• Enzyme Commision number: 3.2.1.73: licheninase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:5dzg, PDBe:5dzg, PDBj:5dzg
• PDBsum: 5dzg
• PubMed: 27859885
• UniProt: F6I323