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The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex with SJ001008025
Analyse The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7K77
- Type
- protein
- Length
- 182 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein pa-X,PROTEIN pa-X
- UniProt
- A0A4D6EED0, C6H0Y9
- Ligands
- QQ4, U3A, MN, SO4
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein pa-X,PROTEIN pa-X | protein | 182 | 53% helix, 13% strand | A0A4D6EED0, C6H0Y9 |
Ligands and binding sites
- QQ4 · Hexa Vinylpyrrolidone K15 · ligand · chains A
- U3A · 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-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 | 445 | 0.64 | 0.77 | 44 | MN, U3A |
Compared structures
- 7K77 · 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 A0A4D6EED0
- Every structure of UniProt C6H0Y9
- Elsewhere: RCSB PDB 7K77 · PDBe 7K77 · UniProt A0A4D6EED0 · UniProt C6H0Y9
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