Guanine-N7 methyltransferase nsp14
UniProt ITasser SWISS Models alphafold D3Targets-2019-nCoVEnzyme possessing two different activities: an exoribonuclease activity acting on both ssRNA and dsRNA in a 3' to 5' direction and a N7-guanine methyltransferase activity. Acts as a proofreading exoribonuclease for RNA replication, thereby lowering The sensitivity of the virus to RNA mutagens.
Models/PDB
No model built for protein with good structural coverage represented in PDB
Binding Site Predictions
The fpocket calculation in this table only for structure present in the Model/PDB table above.
| fpocket | pocket score | drug score | hydrophobicity score | polarity score |
|---|---|---|---|---|
| pocket24_nsp14 | 5.0091 | 0.1936 | 60.8182 | 5 |
| pocket30_nsp14 | -0.4836 | 0.0968 | 55.0909 | 3 |
| pocket5_nsp14 | 15.4398 | 0.653 | 48.5556 | 9 |
| pocket11_nsp14 | 9.2691 | 0.0214 | 12.8182 | 7 |
| pocket29_nsp14 | 0.4594 | 0.023 | 34.5 | 5 |
| pocket8_nsp14 | 10.8626 | 0.019 | 18.5455 | 7 |
| pocket17_nsp14 | 8.1419 | 0.0135 | 10.6923 | 6 |
| pocket3_nsp14 | 18.3922 | 0.0891 | 13.7778 | 11 |
| pocket22_nsp14 | 5.7463 | 0.0157 | 19.7333 | 10 |
| pocket25_nsp14 | 3.5906 | 0.0053 | -8.25 | 5 |
| pocket4_nsp14 | 16.5917 | 0.1107 | 32.2941 | 10 |
| pocket10_nsp14 | 9.3637 | 0.0107 | 8.8333 | 5 |
| pocket28_nsp14 | 2.4249 | 0.0265 | 37.6 | 4 |
| pocket9_nsp14 | 9.938 | 0.0241 | 23.2667 | 7 |
| pocket16_nsp14 | 8.2235 | 0.0233 | 31.6923 | 5 |
| pocket2_nsp14 | 21.8839 | 0.2341 | 40.44 | 11 |
| pocket23_nsp14 | 5.5603 | 0.0074 | 3.1667 | 8 |
| pocket7_nsp14 | 11.5009 | 0.1179 | 32.5714 | 7 |
| pocket13_nsp14 | 8.9172 | 0.0163 | 22.6154 | 8 |
| pocket26_nsp14 | 3.4862 | 0.0495 | 36.625 | 4 |
| pocket20_nsp14 | 7.4516 | 0.0118 | 21.2308 | 6 |
| pocket15_nsp14 | 8.2262 | 0.0127 | 19.4545 | 7 |
| pocket1_nsp14 | 27.6447 | 0.0771 | 19.4375 | 19 |
| pocket18_nsp14 | 8.0101 | 0.1901 | 41.2308 | 6 |
| pocket6_nsp14 | 13.7729 | 0.0773 | 13.6667 | 7 |
| pocket12_nsp14 | 9.079 | 0.0276 | 21.4545 | 6 |
| pocket27_nsp14 | 2.4657 | 0.0095 | 18.3636 | 5 |
| pocket21_nsp14 | 5.7501 | 0.0176 | 28.8 | 6 |
| pocket14_nsp14 | 8.2722 | 0.009 | 2.1111 | 5 |
| pocket0_nsp14 | 41.144 | 0.6056 | 18.5938 | 17 |
| pocket19_nsp14 | 7.5235 | 0.0069 | -0.8333 | 8 |
UniProt Viewer
Virtual Screening ligands Docking
| Docking Structure | pdb | Ligand Name | glide_gscore | MMGBSA_ΔG_Bind | docking_score |
|---|---|---|---|---|---|
| NSP-14-5C8S-FDA_1 | 5C8S | CLOFARABINE | -9.7 | -50.66 | -9.7 |
| NSP-14-5C8S-FDA_2 | 5C8S | TRIFLURIDINE | -9.3 | -50.53 | -9.22 |
| NSP-14-5C8S-FDA_3 | 5C8S | TRIFLURIDINE | -9.17 | -53.77 | -9.09 |
| NSP-14-5C8S-FDA_4 | 5C8S | CLADRIBINE | -9.05 | -51.37 | -9.05 |
| NSP-14-5C8S-FDA_5 | 5C8S | TELBIVUDINE | -8.84 | -56.12 | -8.84 |
SAR CoV-2 & Human Proteins interaction
To download all protein-protein docking models please see the Help page
| PPI docking | CHARMM_ENERGY | pdb_human | human_genes |
|---|---|---|---|
| 6i0mA-nsp14.001.25.min | -28853.96 | 6i0m_A | IMPDH2 |
| 6i0mA-nsp14.003.19.min | -28827.47 | 6i0m_A | IMPDH2 |
| 6i0mA-nsp14.001.13.min | -28785.73 | 6i0m_A | IMPDH2 |
| 6i0mA-nsp14.000.28.min | -28750.47 | 6i0m_A | IMPDH2 |
| 3hg3A-nsp14.001.18.min | -27610.41 | 3hg3_A | GLA |
| 3hg3A-nsp14.003.20.min | -27594.36 | 3hg3_A | GLA |
| 3hg3A-nsp14.003.18.min | -27572.98 | 3hg3_A | GLA |
| 3hg3A-nsp14.003.10.min | -27560.41 | 3hg3_A | GLA |
Protein-Protein Interactions
We have mapped SARS CoV-2 human Protein-Protein Interactions from A SARS-CoV-2 protein interaction map reveals targets for drug repurposing human drug target interacted with SARS CoV-2 are highlighted in black arrow.
