Structure of PDB 5dzg Chain A Binding Site BS01

Receptor Information

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

EAQPLKFIAVDYCPESCTHSPESSTITLTFDHRGGSRWRSTTRFQYGTFS
SLIQCPKGNTSGLNFNIYLSSLEGDKSQDAIDFEFLGKDKRIVQTNYYTA
GTGNREAIHDLGFDCSDGFHEYVIKWGPDLIQWLIDGKVIRSVRADGEGF
PQKPMFLYASVWDASYIDEGRWTGPYVGCDAPYICLYKNVNVPGTAV

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 5dzg Chain C Residue 1

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): N75 Y77 E82 D91 E93 W171
• Binding residue (residue number reindexed from 1): N66 Y68 E73 D82 E84 W162
• 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