Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0075231
Abendroth, J., Fox III, D., Lorimer, D.D., Horanyi, P.S., Edwards, T.E.To be published.
Experimental Data Snapshot
Molecule | Chains | Sequence Length | Organism | Details | Image |
---|---|---|---|---|---|
GP1 | 328 | Ebola virus - Mayinga, Zaire, 1976 | Mutation(s): 1  Gene Names: GP | ||
Find proteins for Q05320 (Zaire ebolavirus (strain Mayinga-76)) Explore Q05320  Go to UniProtKB:  Q05320 | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q05320 | ||||
|
Molecule | Chains | Sequence Length | Organism | Details | Image |
---|---|---|---|---|---|
GP2 | 168 | Ebola virus - Mayinga, Zaire, 1976 | Mutation(s): 1  Gene Names: GP | ||
Find proteins for Q05320 (Zaire ebolavirus (strain Mayinga-76)) Explore Q05320  Go to UniProtKB:  Q05320 | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q05320 | ||||
|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
---|---|---|---|---|---|
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | C | 6 | N-Glycosylation | ||
GlyTouCan:  G64481DJ GlyCosmos:  G64481DJ GlyGen:  G64481DJ |
Ligands 4 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
ZQH (Subject of Investigation/LOI) Query on ZQH | H [auth A] | [(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone C32 H40 N2 O ZJCVPSYUNWYDCW-JDHUQGDGSA-N | |||
NAG Query on NAG | D [auth A], E [auth A], F [auth A], G [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
EDO Query on EDO | I [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N | |||
ACT Query on ACT | J [auth A], K [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 113.94 | α = 90 |
b = 113.94 | β = 90 |
c = 308.49 | γ = 120 |
Software Name | Purpose |
---|---|
XDS | data reduction |
XSCALE | data scaling |
PHENIX | refinement |
PDB_EXTRACT | data extraction |
PHASER | phasing |
Funding Organization | Location | Grant Number |
---|---|---|
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | HHSN272201700059C |