Structure of PDB 1oke Chain B Binding Site BS01

Receptor Information

>1oke Chain B (length=394) Species: 11060 (dengue virus type 2)

MRCIGISNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEA
KQPATLRKYCIEAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRG
WGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHA
VGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQ
MKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDV
VVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYS
MCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGR
LITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKK

Ligand information

• Ligand ID: FUL
• 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-KGJVWPDLSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  CACTVS 3.341: C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: beta-L-fucopyranose;
  beta-L-fucose;
  6-deoxy-beta-L-galactopyranose;
  L-fucose;
  fucose;
  6-DEOXY-BETA-L-GALACTOSE
• ChEMBL: CHEMBL1230861
• DrugBank: DB03283
• ZINC: ZINC000001532813
• PDB chain: 1oke Chain D Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1oke A Ligand-Binding Pocket in the Dengue Virus Envelope Glycoprotein.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): E147 H149
• Binding residue (residue number reindexed from 1): E147 H149
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  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:1oke, PDBe:1oke, PDBj:1oke
• PDBsum: 1oke
• PubMed: 12759475
• UniProt: P12823|POLG_DEN2P Genome polyprotein