5CUQ

Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase

?

Functional Information from GO Data

ChainGOidnamespacecontents
A0044165cellular_componenthost cell endoplasmic reticulum
A0033644cellular_componenthost cell membrane
A0016021cellular_componentintegral component of membrane
A0019028cellular_componentviral capsid
A0019031cellular_componentviral envelope
A0055036cellular_componentvirion membrane
A0005524molecular_functionATP binding
A0008026molecular_functionATP-dependent helicase activity
A0003725molecular_functiondouble-stranded RNA binding
A0046872molecular_functionmetal ion binding
A0004482molecular_functionmRNA (guanine-N7-)-methyltransferase activity
A0004483molecular_functionmRNA (nucleoside-2'-O-)-methyltransferase activity
A0046983molecular_functionprotein dimerization activity
A0003724molecular_functionRNA helicase activity
A0003968molecular_functionRNA-directed 5'-3' RNA polymerase activity
A0004252molecular_functionserine-type endopeptidase activity
A0005198molecular_functionstructural molecule activity
A0039654biological_processfusion of virus membrane with host endosome membrane
A0039520biological_processinduction by virus of host autophagy
A0039503biological_processsuppression by virus of host innate immune response
A0039694biological_processviral RNA genome replication
A0019062biological_processvirion attachment to host cell
B0044165cellular_componenthost cell endoplasmic reticulum
B0033644cellular_componenthost cell membrane
B0016021cellular_componentintegral component of membrane
B0019028cellular_componentviral capsid
B0019031cellular_componentviral envelope
B0055036cellular_componentvirion membrane
B0005524molecular_functionATP binding
B0008026molecular_functionATP-dependent helicase activity
B0003725molecular_functiondouble-stranded RNA binding
B0046872molecular_functionmetal ion binding
B0004482molecular_functionmRNA (guanine-N7-)-methyltransferase activity
B0004483molecular_functionmRNA (nucleoside-2'-O-)-methyltransferase activity
B0046983molecular_functionprotein dimerization activity
B0003724molecular_functionRNA helicase activity
B0003968molecular_functionRNA-directed 5'-3' RNA polymerase activity
B0004252molecular_functionserine-type endopeptidase activity
B0005198molecular_functionstructural molecule activity
B0039654biological_processfusion of virus membrane with host endosome membrane
B0039520biological_processinduction by virus of host autophagy
B0039503biological_processsuppression by virus of host innate immune response
B0039694biological_processviral RNA genome replication
B0019062biological_processvirion attachment to host cell
?

Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC19binding site for residue NSC A 301
ChainResidue
AGLY81
AGLY109
AHIS110
AGLU111
ALYS130
AASP131
AVAL132
APHE133
AILE147

AC213binding site for residue NSC B 301
ChainResidue
BGLY81
BTHR104
BLYS105
BGLY109
BHIS110
BGLU111
BASP131
BVAL132
BPHE133
BHOH441
BHOH497
BHOH578
BHOH598

?

Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
NSC_5cuq_A_30114N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA binding site
ChainResidueligand
ALEU80-GLY83NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
ATHR104-LYS105NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
AGLY109-GLU111NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
ALYS130-PHE133NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
AILE147NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA

NSC_5cuq_B_30116N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA binding site
ChainResidueligand
BGLY81-GLY83NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
BTYR103-LYS105NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
BGLY109-GLU111NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
BLYS130-PHE133NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
BILE147-GLU149NSC: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA

?

Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
?

Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
?

Catalytic Information from CSA

site_idNumber of ResiduesDetails