Structure of PDB 4uta Chain A Binding Site BS01

Receptor Information

>4uta Chain A (length=373) Species: 11060 (dengue virus type 2)

MRCIGISNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEA
KQPATLRKYCIEAKLTNTTTESRCPTQGEPSLNEEQDKRFICKHSMVDRG
WGNGCGLFGKGGIVTCAKFTCKKNMEGKIVQPENLEYTIVITPHSGEEHK
HGKEIKITPQSSTTEAELTGYGTVTMECSPRTGLDFNEMVLLQMEDKAWL
VHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQE
GAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFK
IVKEIAETQHGTIVIRVQGSPCKIPFEITDVLGRLITVNPIVTEKDSPVN
IEAEPPFGDSYIIVLKLNWLRPL

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: 4uta Chain C Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4uta Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): K64 T66
• Binding residue (residue number reindexed from 1): K64 T66
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number:
  3.4.21.91: flavivirin.
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0046983 protein dimerization activity

External links

• PDB: RCSB:4uta, PDBe:4uta, PDBj:4uta
• PDBsum: 4uta
• PubMed: 25581790
• UniProt: A0A0B4SHY9