Structure of PDB 7jhz Chain A Binding Site BS02

Receptor Information

>7jhz Chain A (length=148) Species: 10941 (Human rotavirus A)

LDGPYQPTTFTPPTDYWILINSNTNGVVYESTNNSDFWTAVIAVEPHVNP
VDRQYNVFGENKQFNVRNDSDKWKFLEMFRGSSQNDFYNRRTLTSDTRLV
GILKYGGRIWTFHGETPRATTDSSNTANLNGISITIHSEFYIIYINNG

Ligand information

• Ligand ID: FUC
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-SXUWKVJYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-fucopyranose;
  alpha-L-fucose;
  6-deoxy-alpha-L-galactopyranose;
  L-fucose;
  fucose
• ChEMBL: CHEMBL1232862
• DrugBank: DB04473
• ZINC: ZINC000001532814
• PDB chain: 7jhz Chain E Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7jhz Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
• Resolution: 2.68 Å
• Binding residue (original residue number in PDB): H114 G115 T121
• Binding residue (residue number reindexed from 1): H113 G114 T120
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0019058 viral life cycle
• GO:0019062 virion attachment to host cell
• GO:0046718 symbiont entry into host cell

Cellular Component

• GO:0019028 viral capsid

External links

• PDB: RCSB:7jhz, PDBe:7jhz, PDBj:7jhz
• PDBsum: 7jhz
• PubMed: 34475219
• UniProt: H6WUJ8