MolNFT v1 · #166919 · protein
The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex with SJ000985494
6V53 · Polymerase acidic protein: “The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex with SJ000985494”. X-ray diffraction, 4 ligands (QPY, QQ4, MN), 1 pocket (best druggability 0.61). MolNFT v1 #166919 on…
- PDB
- 6V53
- Type
- protein
- Length
- 179 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic protein
- UniProt
- C6H0Y9
- Ligands
- QPY, QQ4, MN, SO4
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein | protein | 179 | 54% helix, 13% strand | C6H0Y9 |
Ligands and binding sites
- QPY · Benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl) ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate · ligand · chains A
- QQ4 · Hexa Vinylpyrrolidone K15 · 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 | 397 | 0.61 | 0.76 | 45 | QPY, MN |
Compared structures
- 6V53 · The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T 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 C6H0Y9
- Elsewhere: RCSB PDB 6V53 · PDBe 6V53 · UniProt C6H0Y9
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