6F5U: Ebolavirus glycoprotein

Crystal structure of ebolavirus glycoprotein in complex with bepridil. Determined by X-ray diffraction at 2.07 Å resolution. Released 3 Jan 2018.

Method
X-ray diffraction
Resolution
2.07 Å
Organisms
Zaire ebolavirus (strain Mayinga-76), Ebola virus
Chains
2
Atoms
3,297
Mol. weight
57.25 kDa
Ligands
CQN, NAG
Released
3 Jan 2018

Explore 6F5U in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6F5U contains 14 α-helices and 28 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 8 helices, 24 β-strands

ElementResiduesLengthSheet
β-strand36-3941
β-strand42-4541
α-helix46-472
α-helix60-623
β-strand63-6971
α-helix70-734
α-helix79-835
β-strand86-8942
β-strand96-9831
β-strand10111
β-strand102-10323
β-strand105-114104
β-strand12014
α-helix123-1264
β-strand135-144104
β-strand151-15442
β-strand159-16131
β-strand165-16731
β-strand16912
α-helix170-1712
β-strand17614
β-strand177-18591
α-helix186-1883
β-strand216-22384
β-strand231-23554
β-strand240-24344
α-helix250-26213
β-strand273-27534
β-strand27715
β-strand308-31035
β-strand472-47324
β-strand474-47635
Chain B: 6 helices, 4 β-strands
ElementResiduesLengthSheet
β-strand50311
β-strand515-51953
α-helix539-5413
β-strand544-54853
α-helix551-5533
α-helix554-57522
β-strand580-58121
α-helix584-59714
α-helix613-6197
α-helix620-6256

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Envelope glycoprotein,Envelope glycoprotein,GP1Aprotein330Zaire ebolavirus (strain Mayinga-76), Ebola virusQ05320 (AlphaFold model)
Envelope glycoproteinBprotein168Zaire ebolavirus (strain Mayinga-76)Q05320 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>6F5U_1 Envelope glycoprotein,Envelope glycoprotein,GP1 (chains A)
ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWG
FRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPC
AGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKKDFFSSHPLREPVNATE
DPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS
NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVSXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
Sequence of entity 2 (B), FASTA
>6F5U_2 Envelope glycoprotein (chains B)
EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQL
ANETTQALQLFLRATTELRTFSILNRKAIDFLLQRWGGTCHILGPDCCIEPADWTKNITD
KIDQIIHDFVDGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGTHHHHHH

Ligands and cofactors

IDNameFormulaCopies
CQNBepridilC24 H34 N2 O1
NAG2-acetamido-2-deoxy-beta-D-glucopyranoseC8 H15 N O64

Water and common crystallization additives (DMS, GOL) are not listed.

Primary citation

Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. Ren, J., Zhao, Y., Fry, E.E. et al. J Med Chem (2018) 61:724-733. DOI 10.1021/acs.jmedchem.7b01249 · PubMed

Other PDB entries of the same protein (UniProt Q05320 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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