Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
Li, B., Qin, L.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
3C protein | 182 | Enterovirus A71 | Mutation(s): 0  | ||
UniProt | |||||
Find proteins for E7E815 (Human enterovirus 71) Explore E7E815  Go to UniProtKB:  E7E815 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | E7E815 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 2 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
AG7 Query on AG7 | B [auth A] | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER C31 H41 F N4 O7 LMIUALQNZXJHOG-IFILWLFVSA-N | |||
SO4 Query on SO4 | C [auth A], D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |
Length ( ? ) | Angle ( ? ) |
---|---|
a = 36.209 | ¦Á = 90 |
b = 64.781 | ¦Â = 113.06 |
c = 38.323 | ¦Ă = 90 |
Software Name | Purpose |
---|---|
PHENIX | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
PHASER | phasing |