MolNFT v1 · #180084 · protein
The crystal structure of the 2009/H1N1/CALIFORNIA pa endonuclease I38T mutant in complex with SJ000988539
7KOP · Protein pa-X: “The crystal structure of the 2009/H1N1/CALIFORNIA pa endonuclease I38T mutant in complex with SJ000988539”. X-ray diffraction, 4 ligands (WTM, QQ4, MN), 1 pocket (best druggability 0.62). MolNFT v1 #180084 on…
- PDB
- 7KOP
- Type
- protein
- Length
- 185 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein pa-X
- UniProt
- A0A4D6EED0, C6H0Y9
- Ligands
- WTM, QQ4, MN, SO4
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein pa-X | protein | 185 | 51% helix, 12% strand | A0A4D6EED0, C6H0Y9 |
Ligands and binding sites
- WTM · 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-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 | 403 | 0.62 | 0.77 | 42 | MN, WTM |
Compared structures
- 7KOP · The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex… · 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 7KOP · PDBe 7KOP · UniProt A0A4D6EED0 · UniProt C6H0Y9
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