Structure of PDB 4cte Chain B Binding Site BS01

Receptor Information

>4cte Chain B (length=231) Species: 63186 (Zobellia galactanivorans)

DYNLVWQDEFDDGIGPDWVFETGMGYNGWGNNELQYYRRENAAVENGNLV
ITAKHENFGGAQYTSARMKTQGRKSFKYGKIEARIALPSGQGLWPAFWML
GNNITSVSWPACGEIDIMSRINNALQTHGTIHWSDQNGDHASYGDDVGVS
DPGQYHIYSVEWDANSIKWFVDGQQFNEVDISNGVNGTGEFQNEFFILLN
MAVGGDWPGFDVDQSKLPAQMLVDYVRVYQK

Ligand information

• Ligand ID: GS1
• InChI: InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: JUSMHIGDXPKSID-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(S)C1O)CO
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)S)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O5 S
• Name: 1-thio-beta-D-glucopyranose;
  1-thio-beta-D-glucose;
  1-thio-D-glucose;
  1-thio-glucose
• ChEMBL: CHEMBL132376
• DrugBank: DB03859
• ZINC: ZINC000003815614
• PDB chain: 4cte Chain D Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4cte Structural and Biochemical Characterization of the Laminarina Zglamc[Gh16] from Zobellia Galactanivorans Suggests Preferred Recognition of Branched Laminarin
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): N54 W121 W132 E137 D139 H155
• Binding residue (residue number reindexed from 1): N31 W98 W109 E114 D116 H132
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:4cte, PDBe:4cte, PDBj:4cte
• PDBsum: 4cte
• PubMed: 25664729
• UniProt: G0L2L9