MolNFT v1 · #179492 · protein
The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex with SJ001008025
7K77 · Protein pa-X,PROTEIN pa-X: “The crystal structure of the 2009 H1N1 pa endonuclease mutant I38T in complex with SJ001008025”. X-ray diffraction, 4 ligands (QQ4, U3A, MN), 1 pocket (best druggability 0.64). MolNFT v1 #179492 on…
- 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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