Structure of PDB 6ha0 Chain A Binding Site BS01

Receptor Information

>6ha0 Chain A (length=162) Species: 28875 (Rotavirus A)

GSMLDGPYQPTTFTPPSDYWILINSNTNGVVYESTNNSDFWTAVIAVEPH
VDPVDRQYNVFGENKQFNVRNDSDKWKFLEMFRGSSQNDFYNRRTLTSNT
RLVGILKYGGRIWTFHGETPRATTDSSNTANLNGISITIHSEFYIIPRSQ
ESKCNEYINNGL

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 6ha0 Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ha0 Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): T347 T348
• Binding residue (residue number reindexed from 1): T123 T124
• 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:6ha0, PDBe:6ha0, PDBj:6ha0
• PDBsum: 6ha0
• PubMed: 31226167
• UniProt: A0A0S0VKY7