MolNFT v1 · #167374 · protein
The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex with SJ000986192
6VIV · Polymerase acidic protein: “The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex with SJ000986192”. X-ray diffraction, 4 ligands (QZM, QQ4, MN), 1 pocket (best druggability 0.57). MolNFT v1 #167374 on…
- PDB
- 6VIV
- Type
- protein
- Length
- 178 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic protein
- UniProt
- C6H0Y9
- Ligands
- QZM, QQ4, MN, SO4
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein | protein | 178 | 53% helix, 13% strand | C6H0Y9 |
Ligands and binding sites
- QZM · 2-[2-[(cyclohexylmethyl-$L^{3}-oxidanyl) carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide · ligand · chains A
- QQ4 · Hexa Vinylpyrrolidone K15 · ligand · chains A
- MN · Manganese (II) ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 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 | 328 | 0.57 | 0.76 | 39 | QZM, MN, SO4 |
Compared structures
- 6VIV · 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 6VIV · PDBe 6VIV · UniProt C6H0Y9
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