Structure of PDB 6ub1 Chain A Binding Site BS01

Receptor Information

>6ub1 Chain A (length=230) Species: 1681229 (Blastomyces gilchristii)

GSGKRGLAYNNINLLTAFEGGPFSWSYNWEPRPGGYTAGIEYVPMLWGPR
GYGSWNADAEAGIAAGSKNLLAFNEPDIASQANMSPEAAAAAYQKYMNPY
AARARLGSPAVSNGAPPKGLGWMQGFLDVCAGNCKIDFLAVHWHGPSGNV
DDFKRYVSEAIALGQKYGIGTVWVTEFEGQGDEEAQVNFLKEVLPWLDSN
AGVERYASFFVDNLVKGGALTSVGKAYKTI

Ligand information

• Ligand ID: BGC
• 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-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 6ub1 Chain E Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ub1 Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): N42 W61 N106 Q113 E208 F241 F242
• Binding residue (residue number reindexed from 1): N10 W29 N74 Q81 E176 F209 F210
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0071966 fungal-type cell wall polysaccharide metabolic process

Cellular Component

• GO:0009277 fungal-type cell wall

External links

• PDB: RCSB:6ub1, PDBe:6ub1, PDBj:6ub1
• PDBsum: 6ub1
• PubMed: 32451508
• UniProt: A0A179UGT5