MolNFT v1 · #52620 · protein
Influenza polymerase fragment
2W69 · Polymerase acidic protein: “Influenza polymerase fragment”. X-ray diffraction, 2 ligands (MN, SO4), 8 pockets (best druggability 0.77). MolNFT v1 #52620 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2W69
- Type
- protein
- Length
- 574 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic protein
- UniProt
- P31343
- Ligands
- MN, SO4
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein | protein | 194 | 49% helix, 13% strand | P31343 |
| B | Polymerase acidic protein | protein | 197 | 48% helix, 12% strand | P31343 |
| D | Polymerase acidic protein | protein | 183 | 50% helix, 14% strand | P31343 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 5 copies · chains A, D, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, D, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.77 | 0.96 | 36 | MN |
| 2 | 625 | 0.74 | 0.80 | 66 | MN, SO4 |
| 3 | 262 | 0.66 | 0.83 | 33 | empty |
| 4 | 533 | 0.64 | 0.76 | 59 | SO4 |
| 5 | 146 | 0.59 | 0.83 | 23 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1104 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 917 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 2W69 · Influenza polymerase fragment · the same entry in another collection · chain B against B, 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 P31343
- Elsewhere: RCSB PDB 2W69 · PDBe 2W69 · UniProt P31343
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