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. 2021 May 18;16(16):2524–2534. doi: 10.1002/cmdc.202100246

Table 1.

Crystallographic structures analysed for conformational changes, co‐crystallized with peptides or peptide inhibitors. NS3PRO refers to the protease domain of the NS3 protein, ignoring the helicase part of the protein, while NS2BCF refers only to the hydrophilic loop of NS2B, which acts as a cofactor for the NS3PRO activation.

Virus

PDB ID

Structural Information

Resolution (Å)

DENV‐1

3L6P[a]

NS2BCF‐GlyL‐NS3PROΔ10

2.20

DENV‐2

2FOM

NS2BCF‐GlyL‐NS3PRO

1.50

DENV‐3

3U1I[b]

NS2BCF‐NS3PRO+NDL

2.30

DENV‐3

3U1J

NS2BCF‐NS3PRO+Aprotinin

1.80

DENV‐4

2WHX[c]

NS2B18‐GlyL‐NS3full

2.20

DENV‐4

2VBC[c]

NS2B18‐GlyL‐NS3full

3.15

WNV

2FP7

NS2BCF‐GlyL‐NS3PRO+NDL

1.68

WNV

2IJO

NS2BCF‐GlyL‐NS3PRO+BPTI

2.30

WNV

3E90

NS2BCF‐GlyL‐NS3PRO+NKK

2.45

[a] The construct has a 10 residues deletion in the N‐terminus of NS3PRO, to facilitate crystallization. [c] Missing NS3 Pro10‐Ala16. [b] Instead of using the full hydrophilic loop from NS2B, a short sequence of 18 residues was used; this was done only to provide solubility to the expressed complex. NDL: Bz‐Nle‐Lys‐Arg‐Arg‐H, BPTI: bovine pancreatic trypsin inhibitor, NKK: Naph‐Lys‐Lys‐Arg‐H, DENV: dengue virus, WNV: West Nile virus Bz‐benzyl, Nle‐norleucine, Naph‐naphthalene