5CCV

Crystal structure of full-length NS5 from dengue virus type 3

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003968	molecular_function	RNA-dependent RNA polymerase activity
A	0004482	molecular_function	mRNA 5'-cap (guanine-N7-)-methyltransferase activity
A	0004483	molecular_function	mRNA (nucleoside-2'-O-)-methyltransferase activity
A	0005524	molecular_function	ATP binding
A	0008168	molecular_function	methyltransferase activity
A	0032259	biological_process	methylation
A	0039694	biological_process	viral RNA genome replication
B	0003968	molecular_function	RNA-dependent RNA polymerase activity
B	0004482	molecular_function	mRNA 5'-cap (guanine-N7-)-methyltransferase activity
B	0004483	molecular_function	mRNA (nucleoside-2'-O-)-methyltransferase activity
B	0005524	molecular_function	ATP binding
B	0008168	molecular_function	methyltransferase activity
B	0032259	biological_process	methylation
B	0039694	biological_process	viral RNA genome replication
C	0003968	molecular_function	RNA-dependent RNA polymerase activity
C	0004482	molecular_function	mRNA 5'-cap (guanine-N7-)-methyltransferase activity
C	0004483	molecular_function	mRNA (nucleoside-2'-O-)-methyltransferase activity
C	0005524	molecular_function	ATP binding
C	0008168	molecular_function	methyltransferase activity
C	0032259	biological_process	methylation
C	0039694	biological_process	viral RNA genome replication
D	0003968	molecular_function	RNA-dependent RNA polymerase activity
D	0004482	molecular_function	mRNA 5'-cap (guanine-N7-)-methyltransferase activity
D	0004483	molecular_function	mRNA (nucleoside-2'-O-)-methyltransferase activity
D	0005524	molecular_function	ATP binding
D	0008168	molecular_function	methyltransferase activity
D	0032259	biological_process	methylation
D	0039694	biological_process	viral RNA genome replication
E	0003968	molecular_function	RNA-dependent RNA polymerase activity
E	0004482	molecular_function	mRNA 5'-cap (guanine-N7-)-methyltransferase activity
E	0004483	molecular_function	mRNA (nucleoside-2'-O-)-methyltransferase activity
E	0005524	molecular_function	ATP binding
E	0008168	molecular_function	methyltransferase activity
E	0032259	biological_process	methylation
E	0039694	biological_process	viral RNA genome replication
F	0003968	molecular_function	RNA-dependent RNA polymerase activity
F	0004482	molecular_function	mRNA 5'-cap (guanine-N7-)-methyltransferase activity
F	0004483	molecular_function	mRNA (nucleoside-2'-O-)-methyltransferase activity
F	0005524	molecular_function	ATP binding
F	0008168	molecular_function	methyltransferase activity
F	0032259	biological_process	methylation
F	0039694	biological_process	viral RNA genome replication
G	0003968	molecular_function	RNA-dependent RNA polymerase activity
G	0004482	molecular_function	mRNA 5'-cap (guanine-N7-)-methyltransferase activity
G	0004483	molecular_function	mRNA (nucleoside-2'-O-)-methyltransferase activity
G	0005524	molecular_function	ATP binding
G	0008168	molecular_function	methyltransferase activity
G	0032259	biological_process	methylation
G	0039694	biological_process	viral RNA genome replication
H	0003968	molecular_function	RNA-dependent RNA polymerase activity
H	0004482	molecular_function	mRNA 5'-cap (guanine-N7-)-methyltransferase activity
H	0004483	molecular_function	mRNA (nucleoside-2'-O-)-methyltransferase activity
H	0005524	molecular_function	ATP binding
H	0008168	molecular_function	methyltransferase activity
H	0032259	biological_process	methylation
H	0039694	biological_process	viral RNA genome replication

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 1001

Chain	Residue
A	HIS712
A	HIS714
A	CYS728
A	CYS847

---

site_id	AC2
Number of Residues	5
Details	binding site for residue ZN A 1002

Chain	Residue
A	GLU437
A	HIS441
A	CYS446
A	GLY447
A	CYS449

---

site_id	AC3
Number of Residues	17
Details	binding site for residue SAH A 1003

Chain	Residue
A	SER56
A	GLY58
A	GLY81
A	CYS82
A	GLY83
A	ARG84
A	GLY85
A	GLY86
A	TRP87
A	THR104
A	LYS105
A	HIS110
A	LYS130
A	ASP131
A	VAL132
A	PHE133
A	ASP146

---

site_id	AC4
Number of Residues	4
Details	binding site for residue ZN B 1001

Chain	Residue
B	GLU437
B	HIS441
B	CYS446
B	CYS449

---

site_id	AC5
Number of Residues	4
Details	binding site for residue ZN B 1002

Chain	Residue
B	HIS712
B	HIS714
B	CYS728
B	CYS847

---

site_id	AC6
Number of Residues	15
Details	binding site for residue SAH B 1003

Chain	Residue
B	SER56
B	GLY58
B	GLY81
B	CYS82
B	GLY83
B	GLY86
B	TRP87
B	LYS105
B	HIS110
B	GLU111
B	LYS130
B	ASP131
B	VAL132
B	PHE133
B	ASP146

---

site_id	AC7
Number of Residues	4
Details	binding site for residue ZN C 1001

Chain	Residue
C	GLU437
C	HIS441
C	CYS446
C	CYS449

---

site_id	AC8
Number of Residues	4
Details	binding site for residue ZN C 1002

Chain	Residue
C	HIS712
C	HIS714
C	CYS728
C	CYS847

---

site_id	AC9
Number of Residues	15
Details	binding site for residue SAH C 1003

Chain	Residue
C	SER56
C	GLY58
C	GLY81
C	CYS82
C	GLY83
C	GLY86
C	TRP87
C	THR104
C	LYS105
C	HIS110
C	GLU111
C	LYS130
C	ASP131
C	VAL132
C	ASP146

---

site_id	AD1
Number of Residues	5
Details	binding site for residue ZN D 1001

Chain	Residue
D	GLU437
D	HIS441
D	CYS446
D	GLY447
D	CYS449

---

site_id	AD2
Number of Residues	4
Details	binding site for residue ZN D 1002

Chain	Residue
D	HIS712
D	HIS714
D	CYS728
D	CYS847

---

site_id	AD3
Number of Residues	16
Details	binding site for residue SAH D 1003

Chain	Residue
D	SER56
D	GLY58
D	GLY81
D	CYS82
D	GLY83
D	GLY86
D	TRP87
D	THR104
D	LYS105
D	HIS110
D	GLU111
D	LYS130
D	ASP131
D	VAL132
D	PHE133
D	ASP146

---

site_id	AD4
Number of Residues	5
Details	binding site for residue ZN E 1001

Chain	Residue
E	CYS446
E	GLY447
E	CYS449
E	GLU437
E	HIS441

---

site_id	AD5
Number of Residues	4
Details	binding site for residue ZN E 1002

Chain	Residue
E	HIS712
E	HIS714
E	CYS728
E	CYS847

---

site_id	AD6
Number of Residues	14
Details	binding site for residue SAH E 1003

Chain	Residue
E	SER56
E	GLY58
E	GLY81
E	CYS82
E	GLY83
E	GLY86
E	TRP87
E	LYS105
E	HIS110
E	LYS130
E	ASP131
E	VAL132
E	PHE133
E	ASP146

---

site_id	AD7
Number of Residues	4
Details	binding site for residue ZN F 1001

Chain	Residue
F	HIS712
F	HIS714
F	CYS728
F	CYS847

---

site_id	AD8
Number of Residues	4
Details	binding site for residue ZN F 1002

Chain	Residue
F	GLU437
F	HIS441
F	CYS446
F	CYS449

---

site_id	AD9
Number of Residues	15
Details	binding site for residue SAH F 1003

Chain	Residue
F	SER56
F	GLY58
F	GLY81
F	CYS82
F	GLY83
F	GLY86
F	TRP87
F	THR104
F	LYS105
F	HIS110
F	LYS130
F	ASP131
F	VAL132
F	PHE133
F	ASP146

---

site_id	AE1
Number of Residues	4
Details	binding site for residue ZN G 1001

Chain	Residue
G	GLU437
G	HIS441
G	CYS446
G	CYS449

---

site_id	AE2
Number of Residues	4
Details	binding site for residue ZN G 1002

Chain	Residue
G	HIS712
G	HIS714
G	CYS728
G	CYS847

---

site_id	AE3
Number of Residues	18
Details	binding site for residue SAH G 1003

Chain	Residue
G	SER56
G	GLY58
G	GLY81
G	CYS82
G	GLY83
G	GLY85
G	GLY86
G	TRP87
G	THR104
G	LYS105
G	HIS110
G	GLU111
G	LYS130
G	ASP131
G	VAL132
G	PHE133
G	ASP146
G	ILE147

---

site_id	AE4
Number of Residues	4
Details	binding site for residue ZN H 1001

Chain	Residue
H	HIS712
H	HIS714
H	CYS728
H	CYS847

---

site_id	AE5
Number of Residues	4
Details	binding site for residue ZN H 1002

Chain	Residue
H	GLU437
H	HIS441
H	CYS446
H	CYS449

---

site_id	AE6
Number of Residues	14
Details	binding site for residue SAH H 1003

Chain	Residue
H	SER56
H	GLY81
H	CYS82
H	GLY83
H	GLY86
H	TRP87
H	THR104
H	LYS105
H	HIS110
H	GLU111
H	LYS130
H	ASP131
H	VAL132
H	ASP146

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	32
Details	ACT_SITE: For 2'-O-MTase activity => ECO:0000250|UniProtKB:Q6YMS4

Chain	Residue	Details
A	LYS61
A	ASP146
A	LYS180
A	GLU216
B	LYS61
B	ASP146
B	LYS180
B	GLU216
C	LYS61
C	ASP146
C	LYS180
C	GLU216
D	LYS61
D	ASP146
D	LYS180
D	GLU216
E	LYS61
E	ASP146
E	LYS180
E	GLU216
F	LYS61
F	ASP146
F	LYS180
F	GLU216
G	LYS61
G	ASP146
G	LYS180
G	GLU216
H	LYS61
H	ASP146
H	LYS180
H	GLU216

---

site_id	SWS_FT_FI2
Number of Residues	72
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00924

Chain	Residue	Details
C	VAL132
C	ILE147
C	TYR218
D	SER56
D	GLY86
D	TRP87
D	THR104
D	LYS105
D	ASP131
D	VAL132
D	ILE147
D	TYR218
E	SER56
E	GLY86
E	TRP87
E	THR104
E	LYS105
E	ASP131
E	VAL132
E	ILE147
E	TYR218
F	SER56
F	GLY86
F	TRP87
F	THR104
F	LYS105
F	ASP131
F	VAL132
F	ILE147
F	TYR218
G	SER56
G	GLY86
G	TRP87
G	THR104
G	LYS105
G	ASP131
G	VAL132
G	ILE147
G	TYR218
H	SER56
H	GLY86
H	TRP87
H	THR104
H	LYS105
H	ASP131
H	VAL132
H	ILE147
H	TYR218
A	SER56
A	GLY86
A	TRP87
A	THR104
A	LYS105
A	ASP131
A	VAL132
A	ILE147
A	TYR218
B	SER56
B	GLY86
B	TRP87
B	THR104
B	LYS105
B	ASP131
B	VAL132
B	ILE147
B	TYR218
C	SER56
C	GLY86
C	TRP87
C	THR104
C	LYS105
C	ASP131

---

site_id	SWS_FT_FI3
Number of Residues	48
Details	BINDING: BINDING => ECO:0000269|PubMed:26895240

Chain	Residue	Details
B	CYS446
B	CYS449
B	HIS712
B	CYS728
C	GLU437
C	HIS441
C	CYS446
C	CYS449
C	HIS712
C	CYS728
D	GLU437
D	HIS441
D	CYS446
D	CYS449
D	HIS712
D	CYS728
E	GLU437
E	HIS441
E	CYS446
E	CYS449
E	HIS712
E	CYS728
F	GLU437
F	HIS441
F	CYS446
F	CYS449
F	HIS712
F	CYS728
G	GLU437
G	HIS441
G	CYS446
G	CYS449
G	HIS712
G	CYS728
H	GLU437
H	HIS441
H	CYS446
H	CYS449
H	HIS712
H	CYS728
A	GLU437
A	HIS441
A	CYS446
A	CYS449
A	HIS712
A	CYS728
B	GLU437
B	HIS441

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250|UniProtKB:Q6YMS4

Chain	Residue	Details
A	LEU853
B	LEU853
C	LEU853
D	LEU853
E	LEU853
F	LEU853
G	LEU853
H	LEU853

---

site_id	SWS_FT_FI5
Number of Residues	56
Details	SITE: mRNA cap binding => ECO:0000255|PROSITE-ProRule:PRU00924

Chain	Residue	Details
B	ASN18
B	PHE25
B	LYS29
B	SER150
B	ARG211
B	SER213
C	LYS14
C	ASN18
C	PHE25
C	LYS29
C	SER150
C	ARG211
C	SER213
D	LYS14
D	ASN18
D	PHE25
D	LYS29
D	SER150
D	ARG211
D	SER213
E	LYS14
E	ASN18
E	PHE25
E	LYS29
E	SER150
E	ARG211
E	SER213
F	LYS14
F	ASN18
F	PHE25
F	LYS29
F	SER150
F	ARG211
F	SER213
G	LYS14
G	ASN18
G	PHE25
G	LYS29
G	SER150
G	ARG211
G	SER213
H	LYS14
H	ASN18
H	PHE25
H	LYS29
H	SER150
H	ARG211
H	SER213
A	ASN18
A	PHE25
A	LYS29
A	SER150
A	ARG211
A	SER213
B	LYS14
A	LYS14

---

site_id	SWS_FT_FI6
Number of Residues	16
Details	SITE: mRNA cap binding; via carbonyl oxygen => ECO:0000255|PROSITE-ProRule:PRU00924

Chain	Residue	Details
E	LEU17
E	LEU20
F	LEU17
F	LEU20
G	LEU17
G	LEU20
H	LEU17
H	LEU20
A	LEU17
A	LEU20
B	LEU17
B	LEU20
C	LEU17
C	LEU20
D	LEU17
D	LEU20

---

site_id	SWS_FT_FI7
Number of Residues	24
Details	SITE: Essential for 2'-O-methyltransferase activity => ECO:0000255|PROSITE-ProRule:PRU00924

Chain	Residue	Details
A	LYS61
A	LYS180
A	GLU216
B	LYS61
B	LYS180
B	GLU216
C	LYS61
C	LYS180
C	GLU216
D	LYS61
D	LYS180
D	GLU216
E	LYS61
E	LYS180
E	GLU216
F	LYS61
F	LYS180
F	GLU216
G	LYS61
G	LYS180
G	GLU216
H	LYS61
H	LYS180
H	GLU216

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	SITE: Essential for 2'-O-methyltransferase and N-7 methyltransferase activity => ECO:0000255|PROSITE-ProRule:PRU00924

Chain	Residue	Details
A	ASP146
B	ASP146
C	ASP146
D	ASP146
E	ASP146
F	ASP146
G	ASP146
H	ASP146

---

site_id	SWS_FT_FI9
Number of Residues	8
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P03314

Chain	Residue	Details
A	SER56
B	SER56
C	SER56
D	SER56
E	SER56
F	SER56
G	SER56
H	SER56

---