Structure of PDB 4n2z Chain A Binding Site BS01

Receptor Information

>4n2z Chain A (length=318)

SDLPTTWQWTSTGPLVGPKNDGRGIAGIKDPTIILINGTHHVFASTAQSA
GYNLVYFTFADWADAPNATFYYLDQAPLGTGYRAAPQVFWFAPHKLWYLV
YQNGNAAYSTNPDINNPKGWTAPKVFYPDGMPKIIEQNIGEGYWVDMWVI
CDSASCHLFSSDDNGQLYRSETSLEQFPNGMSQPVIAMQDNRNDLFEAAC
VYSLPDGKYLLLVEAIGTDGHRWFRSWTADSIRGPWQGLANTEQNPWARS
NNVQFDGDVWTKSISHGEIIRDGTVDEKLLIDPCNIRFMYQGMDPSAGGE
YNALPWRLGFIAHNNPAC

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: 4n2z Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4n2z First Structural Insights into alpha-L-Arabinofuranosidases from the Two GH62 Glycoside Hydrolase Subfamilies.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): V164 N321
• Binding residue (residue number reindexed from 1): V145 N302
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.

Gene Ontology

Molecular Function

• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0046556 alpha-L-arabinofuranosidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0045493 xylan catabolic process
• GO:0046373 L-arabinose metabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4n2z, PDBe:4n2z, PDBj:4n2z
• PDBsum: 4n2z
• PubMed: 24394409
• UniProt: E2GHW5