5YOD

Crystal structure of zika virus NS3 protease in complex with a small molecule inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0044423	cellular_component	virion component
B	0003723	molecular_function	RNA binding
B	0003724	molecular_function	RNA helicase activity
B	0005524	molecular_function	ATP binding
C	0004252	molecular_function	serine-type endopeptidase activity
C	0044423	cellular_component	virion component
D	0003723	molecular_function	RNA binding
D	0003724	molecular_function	RNA helicase activity
D	0005524	molecular_function	ATP binding
E	0004252	molecular_function	serine-type endopeptidase activity
E	0044423	cellular_component	virion component
F	0003723	molecular_function	RNA binding
F	0003724	molecular_function	RNA helicase activity
F	0005524	molecular_function	ATP binding
G	0004252	molecular_function	serine-type endopeptidase activity
G	0044423	cellular_component	virion component
H	0003723	molecular_function	RNA binding
H	0003724	molecular_function	RNA helicase activity
H	0005524	molecular_function	ATP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue BEZ B 201

Chain	Residue
B	HIS51
B	TYR130
B	ALA132
B	SER135
B	GLY151
B	TYR161

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site_id	AC2
Number of Residues	7
Details	binding site for residue BEZ F 201

Chain	Residue
F	ALA132
F	SER135
F	GLY151
F	TYR161
F	HIS51
F	TYR130
F	PRO131

---

site_id	AC3
Number of Residues	12
Details	binding site for Di-peptide BEZ D 201 and SER D 135

Chain	Residue
D	GLY37
D	VAL38
D	HIS51
D	TYR130
D	ALA132
D	GLY133
D	THR134
D	GLY136
D	SER137
D	TYR150
D	GLY151
D	TYR161

---

site_id	AC4
Number of Residues	14
Details	binding site for Di-peptide BEZ H 201 and SER H 135

Chain	Residue
H	GLY37
H	VAL38
H	MET49
H	HIS51
H	TYR130
H	ALA132
H	GLY133
H	THR134
H	GLY136
H	SER137
H	TYR150
H	GLY151
H	TYR161
H	HOH359

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU00860

Chain	Residue	Details
H	ASP75
B	HIS51
B	ASP75
D	HIS51
D	ASP75
F	HIS51
F	ASP75
H	HIS51

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU00860, ECO:0000269|PubMed:29526431

Chain	Residue	Details
B	SER135
D	SER135
F	SER135
H	SER135

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