Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 4-{(E)-[2-(4-Chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-Triol | Ligand Info | |||||
| Structure Description | Endonuclease inhibitor bound to influenza strain H1N1 polymerase acidic subunit N-terminal region without a chelation to the metal ions in the active site | PDB:4ZI0 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
GPLGSMEDFV
5 RQCFNPMIVE15 LAEKTMKEYG25 EDLKIETNKF35 AAICTHLEVC45 FMYSDASKHR 75 FEIIEGRDRT85 MAWTVVNSIC95 NTTGAEKPKF105 LPDLYDYKEN115 RFIEIGVTRR 125 EVHIYYLEKA135 NKIKSEKTHI145 HIFSFTGEEM155 ATKADYTLDE165 ESRARIKTRL 175 FTIRQEMASR185 GLWDSFRQSE195 R
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(4-Fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone | Ligand Info | |||||
| Structure Description | Phenolic acid derivative bound to influenza strain H1N1 polymerase subunit PA endonuclease | PDB:4YYL | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [2] |
| PDB Sequence |
GPLGSMEDFV
5 RQCFNPMIVE15 LAEKTMKEYG25 EDLKIETNKF35 AAICTHLEVC45 FMYSDASKHR 75 FEIIEGRDRT85 MAWTVVNSIC95 NTTGAEKPKF105 LPDLYDYKEN115 RFIEIGVTRR 125 EVHIYYLEKA135 NKIKSEKTHI145 HIFSFTGEEM155 ATKADYTLDE165 ESRARIKTRL 175 FTIRQEMASR185 GLWDSFRQSE195 R
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THR20
3.236
TYR24
3.386
GLU26
3.205
ILE30
4.397
GLU31
3.006
ASN33
3.886
LYS34
3.218
ALA37
2.687
ILE38
3.089
HIS41
3.177
GLU80
3.002
ARG84
2.937
TRP88
4.313
LYS104
4.746
PHE105
3.676
LEU106
3.155
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| Ligand Name: (2z)-4-[1-Benzyl-4-(4-Chlorobenzyl)piperidin-4-Yl]-2-Hydroxy-4-Oxobut-2-Enoic Acid | Ligand Info | |||||
| Structure Description | Endonuclease inhibitor 3 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0 | PDB:5FDG | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
GPLGSMEDFV
10 RQCFNPMIVE20 LAEKTMKEYG30 EDLKIETNKF40 AAICTHLEVC50 FMYSDASKHR 60 FEIIEGRDRT70 MAWTVVNSIC80 NTTGAEKPKF90 LPDLYDYKEN100 RFIEIGVTRR 110 EVHIYYLEKA120 NKIKSEKTHI130 HIFSFTGEEM140 ATKADYTLDE150 ESRARIKTRL 160 FTIRQEMASR170 GLWDSFRQSE180 R
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0N8 or .0N82 or .0N83 or :30N8;style chemicals stick;color identity;select .A:25 or .A:29 or .A:43 or .A:46 or .A:65 or .A:69 or .A:90 or .A:91 or .A:93 or .A:104 or .A:105 or .A:106 or .A:107 or .A:115 or .A:119 or .A:122 or .A:123; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(2-Chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde | Ligand Info | |||||
| Structure Description | Endonuclease inhibitor bound to influenza strain H1N1 polymerase acidic subunit N-terminal region with expelling one of the metal ions in the active site | PDB:4ZHZ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [1] |
| PDB Sequence |
GPLGSMEDFV
5 RQCFNPMIVE15 LAEKTMKEYG25 EDLKIETNKF35 AAICTHLEVC45 FMYSDASKHR 75 FEIIEGRDRT85 MAWTVVNSIC95 NTTGAEKPKF105 LPDLYDYKEN115 RFIEIGVTRR 125 EVHIYYLEKA135 NKIKSEKTHI145 HIFSFTGEEM155 ATKADYTLDE165 ESRARIKTRL 175 FTIRQEMASR185 GLWDSFRQSE195 R
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4P8 or .4P82 or .4P83 or :34P8;style chemicals stick;color identity;select .A:20 or .A:24 or .A:34 or .A:37 or .A:38 or .A:41 or .A:80 or .A:104 or .A:105 or .A:106 or .A:108 or .A:119 or .A:120 or .A:121 or .A:122 or .A:130 or .A:134 or .A:137 or .A:138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| 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. | ||||
| REF 2 | Structural and computational study on inhibitory compounds for endonuclease activity of influenza virus polymerase. Bioorg Med Chem. 2015 Sep 1;23(17):5466-75. | ||||
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