Structure of PDB 6fwj Chain A Binding Site BS01

Receptor Information

>6fwj Chain A (length=347) Species: 657309 (Bacteroides xylanisolvens XB1A)

LGTELDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNGGSGQNPGTIPG
TQESIASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQDET
EAKRIGLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNHPA
FYRKDGKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLWTS
SPTVQRPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKIFI
PSVGPGYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITSFN
EWHEGSQIEPAVPYTSSEFTYLDYENREPDYYLTRTAYWVGKFRESK

Ligand information

• Ligand ID: MAN
• 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-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(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
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 6fwj Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6fwj An Epoxide Intermediate in Glycosidase Catalysis.
• Resolution: 1.04 Å
• Binding residue (original residue number in PDB): Y195 D196 Y198 F253 F258
• Binding residue (residue number reindexed from 1): Y163 D164 Y166 F221 F226
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0004559 alpha-mannosidase activity
• GO:0016787 hydrolase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6fwj, PDBe:6fwj, PDBj:6fwj
• PDBsum: 6fwj
• PubMed: 32490192
• UniProt: D6D1V7