MolNFT v1 · #122101 · protein
Crystal structure of polymerase acid protein (pa) from influenza a virus, wilson-SMITH/1933 (H1N1) bound to fragment hit ebsi-279 N-[(4- CHLOROPHENYL)METHYL]-1-methyl-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-amine
5IF7 · Polymerase acidic protein: “Crystal structure of polymerase acid protein (pa) from influenza a virus, wilson-SMITH/1933 (H1N1) bound to…”. X-ray diffraction, 1 ligand (6AY), 7 pockets (best druggability 0.65). MolNFT v1 #122101 on…
- PDB
- 5IF7
- Type
- protein
- Length
- 407 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic protein
- UniProt
- P15659
- Ligands
- 6AY
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein | protein | 407 | 44% helix, 19% strand | P15659 |
Ligands and binding sites
- 6AY · N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 226 | 0.65 | 0.83 | 35 | DMS |
| 2 | 103 | 0.45 | 0.79 | 21 | empty |
| 3 | 59 | 0.34 | 0.77 | 9 | 6AY |
| 4 | 68 | 0.32 | 0.75 | 12 | empty |
| 5 | 71 | 0.29 | 0.73 | 13 | empty |
Compared structures
- 5IF7 · Crystal structure of polymerase acid protein (PA) from Influenza A virus… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P15659
- Elsewhere: RCSB PDB 5IF7 · PDBe 5IF7 · UniProt P15659
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