Structure of PDB 6i2k Chain B Binding Site BS01

Receptor Information

>6i2k Chain B (length=245) Species: 39054 (Enterovirus A71)

SDRVAQLTIGNSTITTQEAANIIVGYGEWPSYCSDDDATAVDKPTRPDVS
VNRFYTLDTKLWEKSSKGWYWKFPDVLTETGVFGQNAQFHYLYRSGFCIH
VQCNASKFHQGALLVAILPEYVIGTVAGGTGTEDSHPPYIQTQPGADGFE
LQHPYVLDAGIPISQLTVCPHQWINLRTNNCATIIVPYMNTLPFDSALNH
CNFGLLVVPISPLDFDQGATPVIPITITLAPMCSEFAGLRQAVTQ

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: 6i2k Chain J Residue 11

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6i2k Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): E72 S74
• Binding residue (residue number reindexed from 1): E63 S65
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.48: RNA-directed RNA polymerase.
  3.4.22.28: picornain 3C.
  3.4.22.29: picornain 2A.
  3.6.1.15: nucleoside-triphosphate phosphatase.

Gene Ontology

Molecular Function

• GO:0005198 structural molecule activity

External links

• PDB: RCSB:6i2k, PDBe:6i2k, PDBj:6i2k
• PDBsum: 6i2k
• PubMed: 30531980
• UniProt: Q66479|POLG_HE71M Genome polyprotein