MolNFT v1 · #167056 · protein
The crystal structure of the 2009 H1N1 pa endonuclease wild type in complex with SJ000988632
6V9E · Polymerase acidic protein: “The crystal structure of the 2009 H1N1 pa endonuclease wild type in complex with SJ000988632”. X-ray diffraction, 4 ligands (QQP, Y24, MN), 1 pocket (best druggability 0.65). MolNFT v1 #167056 on…
- PDB
- 6V9E
- Type
- protein
- Length
- 177 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic protein
- UniProt
- C6H0Y9
- Ligands
- QQP, Y24, MN, SO4
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic protein | protein | 177 | 51% helix, 13% strand | C6H0Y9 |
Ligands and binding sites
- QQP · N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide · ligand · chains A
- Y24 · 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) · 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 | 453 | 0.65 | 0.78 | 51 | MN, QQP |
Compared structures
- 6V9E · The crystal structure of the 2009 H1N1 PA endonuclease wild type 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 6V9E · PDBe 6V9E · UniProt C6H0Y9
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