UniProt A0A142IX72

NS3 protease (A0A142IX72)

NS3 protease (UniProt A0A142IX72), EC 3.4.21.91, 3.6.1.15: 29 experimental structures on GenesisL1, 16 ligands bound, 33 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.

UniProt: A0A142IX72
Protein: NS3 protease
EC: 3.4.21.91, 3.6.1.15, 3.6.4.13
Experimental structures: 29
Predicted models: 0
Ligands: 16
Pockets: 33 · 3 records with a druggable one

Structures

29 records of A0A142IX72 in the MolNFT archive: 29 experimental, 0 predicted.

Entry	Title	Method	Chains	Ligands	Pockets
5GJ4	Structure of NS2B-NS3 Protease from Zika Virus caught after self-cleavage	x-ray diffraction	A, B, C, D, E, F, G, H	CL	9 (best 0.48)
5GJ4	Structure of NS2B-NS3 protease from zika virus caught after self- cleavage	x-ray diffraction	A, B, C, D, E, F, G, H	—	—
5ZOB	Crystal structure of Zika NS3 protease with 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenz…	x-ray diffraction	B, D, H, F	—	—
5ZOB	Crystal structure of zika NS3 protease with 4-guanidinomethyl…	x-ray diffraction	B, D, H, F	2UE, 00S	—
6JPW	Crystal structure of Zika NS2B-NS3 protease with compound 1C	x-ray diffraction	B, D, F, H	—	5 (best 0.62)
6JPW	Crystal structure of zika NS2B-NS3 protease with compound 1C	x-ray diffraction	B, D, F, H	C0F	—
6KK2	Crystal structure of Zika NS2B-NS3 protease with compound 2	x-ray diffraction	B	D9U	1 (best 0.44)
6KK2	Crystal structure of zika NS2B-NS3 protease with compound 2	x-ray diffraction	B	D9U	—
6KK3	Crystal structure of Zika NS2B-NS3 protease with compound 4	x-ray diffraction	B	DUU	1 (best 0.41)
6KK3	Crystal structure of zika NS2B-NS3 protease with compound 4	x-ray diffraction	B	DUU	—
6KK4	Crystal structure of Zika NS2B-NS3 protease with compound 9	x-ray diffraction	B	DE0	—
6KK4	Crystal structure of zika NS2B-NS3 protease with compound 9	x-ray diffraction	B	DE0	—
6KK5	Crystal structure of Zika NS2B-NS3 protease with compound 15	x-ray diffraction	B	DE6	—
6KK5	Crystal structure of zika NS2B-NS3 protease with compound 15	x-ray diffraction	B	DE6	—
6KK6	Crystal structure of Zika NS2B-NS3 protease with compound 16	x-ray diffraction	B	SO4, DV0	—
6KK6	Crystal structure of zika NS2B-NS3 protease with compound 16	x-ray diffraction	B	SO4, DV0	—
6KPQ	Crystal structure of Zika NS2B-NS3 protease with compound 8	x-ray diffraction	B	DT0	1 (best 0.43)
6KPQ	Crystal structure of zika NS2B-NS3 protease with compound 8	x-ray diffraction	B	DT0	—
6L50	Crystal structure of Zika NS2B-NS3 protease with compound 16	x-ray diffraction	B, D, F, H	E60	6 (best 0.64)
6L50	Crystal structure of zika NS2B-NS3 protease with compound 16	x-ray diffraction	B, D, F, H	E60	—
7DOC	Crystal structure of Zika NS2B-NS3 protease with compound 5	x-ray diffraction	B, D, F	—	6 (best 0.67)
7DOC	Crystal structure of zika NS2B-NS3 protease with compound 5	x-ray diffraction	B, D, F	HHC	—
7VLG	Crystal structure of Zika NS2B-NS3 protease with compound MI2201	x-ray diffraction	B	7PZ	1 (best 0.39)
7VLG	Crystal structure of zika NS2B-NS3 protease with compound MI2201	x-ray diffraction	B	7PZ	—
7VLH	Crystal structure of Zika NS2B-NS3 protease with compound MI2219	x-ray diffraction	B	7Q3, SO4	1 (best 0.44)
7VLH	Crystal structure of zika NS2B-NS3 protease with compound MI2219	x-ray diffraction	B	7Q3, SO4	—
7VLI	Crystal structure of Zika NS2B-NS3 protease with compound MI2220	x-ray diffraction	B	7QG, SO4	1 (best 0.40)
7VLI	Crystal structure of zika NS2B-NS3 protease with compound MI2220	x-ray diffraction	B	7QG, SO4	—
8PN6	Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus	x-ray diffraction	B	—	1 (best 0.41)

Ligands

SO4 · Sulfate ion · in 6 records
7PZ · 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine · in 2 records
7Q3 · 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8, 11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine · in 2 records
7QG · 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8, 12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine · in 2 records
D9U · 1-[(10~{S},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9, 16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine · in 2 records
DE0 · 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8, 15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine · in 2 records
DE6 · 1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine · in 2 records
DT0 · 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9, 16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine · in 2 records
DUU · 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9, 16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine · in 2 records
DV0 · 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine · in 2 records
E60 · 2-sulfanylidene-1,3-thiazolidin-4-one · in 2 records
00S · 4-(aminomethyl)benzenecarboximidamide · in 1 record
2UE · 1-[4-(2-oxoethyl)benzyl]guanidine · in 1 record
C0F · (4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid · in 1 record
CL · Chloride ion · in 1 record
HHC · ~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide · in 1 record

Elsewhere

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