Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T32369 Target Info
Target Name Influenza Polymerase acidic endonuclease (Influ PA)
Synonyms RNA-directed RNA polymerase subunit P2; Polymerase acidic protein
Target Type Successful Target
Gene Name Influ PA
UniProt ID
PA_I34A1
Ligand General Information  Top
Ligand Name 4-{(E)-[2-(4-Chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-Triol Ligand Info
Canonical SMILES C1=CC(=CC=C1NN=CC2=C(C(=C(C=C2)O)O)O)Cl
InChI 1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+
InChIKey RTAUGTZBLILHLD-VIZOYTHASA-N
PubChem Compound ID 135691141
Drug Binding Sites of Target  Top
PDB ID: 4ZI0      Endonuclease inhibitor bound to influenza strain H1N1 polymerase acidic subunit N-terminal region without a chelation to the metal ions in the active site
Method X-ray diffraction Resolution 1.80 Å Mutation No [1]
PDB Sequence
GPLGSMEDFV
5
RQCFNPMIVE
15
LAEKTMKEYG
25
EDLKIETNKF
35
AAICTHLEVC
45

FMYSDASKHR
75
FEIIEGRDRT
85
MAWTVVNSIC
95
NTTGAEKPKF
105
LPDLYDYKEN
115

RFIEIGVTRR
125
EVHIYYLEKA
135
NKIKSEKTHI
145
HIFSFTGEEM
155
ATKADYTLDE
165

ESRARIKTRL
175
FTIRQEMASR
185
GLWDSFRQSE
195
R
Residue
Distance (Å)
GLU26
4.443
GLU31
3.684
ASN33
4.316
LYS34
3.352
ALA37
3.500
VAL122
3.880
THR123
3.428
Residue
Distance (Å)
ARG124
3.483
PHE150
3.463
PHE191
3.116
ARG192
4.735
SER194
3.046
GLU195
3.516
ARG196
4.198
PDB ID: 5I13      Endonuclease inhibitor 2 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0
Method X-ray diffraction Resolution 2.15 Å Mutation No [1]
PDB Sequence
GPLGSMEDFV
5
RQCFNPMIVE
15
LAEKTMKEYG
25
EDLKIETNKF
35
AAICTHLEVC
45

FMYSDASKHR
75
FEIIEGRDRT
85
MAWTVVNSIC
95
NTTGAEKPKF
105
LPDLYDYKEN
115

RFIEIGVTRR
125
EVHIYYLEKA
135
NKIKSEKTHI
145
HIFSFTGEEM
155
ATKADYTLDE
165

ESRARIKTRL
175
FTIRQEMASR
185
GLWDSFRQSE
195
R
Residue
Distance (Å)
TYR24
3.911
GLU31
3.477
ASN33
4.810
LYS34
3.539
ALA37
3.529
HIS41
2.898
GLU80
3.172
LEU106
4.282
ASP108
2.890
GLU119
3.051
ILE120
3.048
GLY121
4.435
VAL122
4.037
Residue
Distance (Å)
THR123
4.212
ARG124
3.444
TYR130
4.624
LYS134
3.023
LYS137
4.305
PHE150
3.745
TRP188
3.502
PHE191
2.865
ARG192
3.551
SER194
3.080
GLU195
3.325
ARG196
3.758
References  Top
REF 1 Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit. Biochemistry. 2016 May 10;55(18):2646-60.

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