MolNFT v1 · #180059 · protein
The crystal structure of the I38T mutant pa endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988528
7KNY · Protein pa-X: “The crystal structure of the I38T mutant pa endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988528”. X-ray diffraction, 4 ligands (WTG, QQ4, MN), 1 pocket (best druggability 0.66). MolNFT v1 #180059 on…
- PDB
- 7KNY
- Type
- protein
- Length
- 179 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein pa-X
- UniProt
- A0A4D6EED0, C6H0Y9
- Ligands
- WTG, QQ4, MN, SO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein pa-X | protein | 179 | 54% helix, 13% strand | A0A4D6EED0, C6H0Y9 |
Ligands and binding sites
- WTG · 2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-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 · 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 | 522 | 0.66 | 0.77 | 45 | MN, WTG |
Compared structures
- 7KNY · The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in… · 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 7KNY · PDBe 7KNY · UniProt A0A4D6EED0 · UniProt C6H0Y9
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