MolNFT v1 · #182524 · protein
The crystal structure of wild type pa endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988569
7MTY · Polymerase acidic protein: “The crystal structure of wild type pa endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988569”. X-ray diffraction, 4 ligands (QQ4, W5V, MN), 1 pocket (best druggability 0.64). MolNFT v1 #182524 on…
- PDB
- 7MTY
- Type
- protein
- Length
- 181 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic protein
- EC
- 3.1.-.-
- UniProt
- C3W5S0
- Ligands
- QQ4, W5V, MN, SO4
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein (EC 3.1.-.-) | protein | 181 | 52% helix, 13% strand | C3W5S0 |
Ligands and binding sites
- QQ4 · Hexa Vinylpyrrolidone K15 · ligand · chains A
- W5V · 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide · ligand · chains A
- MN · Manganese (II) ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 481 | 0.64 | 0.77 | 47 | MN, W5V |
Compared structures
- 7MTY · The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with… · 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 C3W5S0
- Elsewhere: RCSB PDB 7MTY · PDBe 7MTY · UniProt C3W5S0
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