MolNFT v1 · #179624 · protein
The crystal structure of the 2009/H1N1/CALIFORNIA pa endonuclease mutant E119D (construct with truncated loop 51-72) in complex with baloxavir acid
7KBC · Protein pa-X: “The crystal structure of the 2009/H1N1/CALIFORNIA pa endonuclease mutant E119D (construct with truncated loop…”. X-ray diffraction, 4 ligands (E4Z, QQ4, MN), 1 pocket (best druggability 0.63). MolNFT v1 #179624 on…
- PDB
- 7KBC
- Type
- protein
- Length
- 180 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein pa-X
- UniProt
- A0A4P2TE19, C6H0Y9
- Ligands
- E4Z, QQ4, MN, SO4
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein pa-X | protein | 180 | 54% helix, 13% strand | A0A4P2TE19, C6H0Y9 |
Ligands and binding sites
- E4Z · Baloxavir acid · 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
- GOL · Glycerol · additive · 5 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 | 410 | 0.63 | 0.77 | 38 | E4Z, GOL, MN |
Compared structures
- 7KBC · The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D (construct… · 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 A0A4P2TE19
- Every structure of UniProt C6H0Y9
- Elsewhere: RCSB PDB 7KBC · PDBe 7KBC · UniProt A0A4P2TE19 · UniProt C6H0Y9
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