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 5-(2-Chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde Ligand Info
Canonical SMILES C1=CC=C(C(=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)C=O)Cl
InChI 1S/C14H10ClNO4/c15-12-4-2-1-3-10(12)5-9-6-11(8-17)14(18)13(7-9)16(19)20/h1-4,6-8,18H,5H2
InChIKey WWNPAYUIEZTOAI-UHFFFAOYSA-N
PubChem Compound ID 720992
Drug Binding Sites of Target  Top
PDB ID: 4ZHZ      Endonuclease inhibitor bound to influenza strain H1N1 polymerase acidic subunit N-terminal region with expelling one of the metal ions in the active site
Method X-ray diffraction Resolution 2.50 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)
THR20
3.650
TYR24
3.158
LYS34
2.505
ALA37
3.832
ILE38
3.819
HIS41
3.461
GLU80
3.424
LYS104
4.428
PHE105
4.640
LEU106
4.622
Residue
Distance (Å)
ASP108
4.432
GLU119
2.691
ILE120
3.545
GLY121
4.218
VAL122
4.755
TYR130
2.731
LYS134
2.275
LYS137
3.691
ILE138
4.537
PDB ID: 5FDD      Endonuclease inhibitor 1 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0
Method X-ray diffraction Resolution 2.51 Å Mutation No [1]
PDB Sequence
GPLGSMEDFV
10
RQCFNPMIVE
20
LAEKTMKEYG
30
EDLKIETNKF
40
AAICTHLEVC
50

FMYSDASKHR
60
FEIIEGRDRT
70
MAWTVVNSIC
80
NTTGAEKPKF
90
LPDLYDYKEN
100

RFIEIGVTRR
110
EVHIYYLEKA
120
NKIKSEKTHI
130
HIFSFTGEEM
140
ATKADYTLDE
150

ESRARIKTRL
160
FTIRQEMASR
170
GLWDSFRQSE
180
R
Residue
Distance (Å)
THR25
4.090
TYR29
3.112
LYS39
4.386
ALA42
3.771
ILE43
4.090
HIS46
3.405
GLU65
3.150
ARG69
4.252
LEU91
4.989
Residue
Distance (Å)
ASP93
4.266
GLU104
2.674
ILE105
3.770
GLY106
3.937
VAL107
4.488
ARG109
4.477
TYR115
2.810
LYS119
2.850
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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