Structure of PDB 8cad Chain F Binding Site BS01

Receptor Information

>8cad Chain F (length=636) Species: 7137 (Galleria mellonella)

TVLDRQYKLLTLFFHPHEPIHIKEQQEIAASWDLEKNIGLYENATAVHLT
IQMLHNNYQVPRGVPFTVLESVHRFEISVYYSLLYSAKTYDTFYKTAVFL
RQHVNENLFVNVLSVVILHRSDTQDIRIPPIYDVFPSYFHNGEIMTTAQR
ITTHGQRMLEHYPSTYVWENNVVIRHNETAWPYYCNTESMPVSYFTHDVT
LNALYYNIKLAYPIWLRSDACAIKEKRGELFFFWNKQLLARYYMERLSVG
LGEIPELGLNEVEEGYVSGLLYHNGIPYPVRPNHLVLNHQTWHAEAIEEI
EVYENRIRDMIDQGFYITNTGEHVSINSPDSIDVLGRLIEANVDSPNVQY
YKDFISIWKKVLGNSLVHESVAFNGIPLVVPSVLEQYQTALRDPAYYMIM
KRVLKLFNLWHEHLPHYTTKELSVPSVKIEKVEVDKLLTYFEYTNFNVTN
HLHLNEKSVLVQRTRLNHKVFTVRVNVKSGVAKHVTVRFFLAPKYDSVGN
EIPLNVNTQNFLLIDIFNYELKEGDNLITRVSSDNLLVTDEIDSASVLFN
KVDSALNMKQNILKTPRHLLLPKGRVGGMPFVLMVYISEYHAPIDNTIRL
TSDTLGFPVDRPLFPWMLTGVENIFLQDVQIYHKPT

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: 8cad Chain R Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cad Plastic degradation by insect hexamerins: Near-atomic resolution structures of the polyethylene-degrading proteins from the wax worm saliva.
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): N349 V373 P376 V378
• Binding residue (residue number reindexed from 1): N319 V343 P346 V348
• Annotation score: 4

External links

• PDB: RCSB:8cad, PDBe:8cad, PDBj:8cad
• PDBsum: 8cad
• PubMed: 37729416
• UniProt: A0A6J1WN20