MolNFT v1 · #170521 · protein
2009 H1N1 pa endonuclease in complex with LU2
6YA5 · Polymerase acidic PROTEIN,POLYMERASE acidic protein: “2009 H1N1 pa endonuclease in complex with LU2”. X-ray diffraction, 4 ligands (LU2, MN, MG), 1 pocket (best druggability 0.64). MolNFT v1 #170521 on GenesisL1: 3D structure…
- PDB
- 6YA5
- Type
- protein
- Length
- 179 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase acidic PROTEIN,POLYMERASE acidic protein
- EC
- 3.1.-.-
- UniProt
- C3W5X6
- Ligands
- LU2, MN, MG, SO4
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase acidic PROTEIN,POLYMERASE acidic protein (EC 3.1.-.-) | protein | 179 | 54% helix, 13% strand | C3W5X6 |
Ligands and binding sites
- LU2 · 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- PGE · Triethylene glycol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · 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 | 494 | 0.64 | 0.76 | 42 | MG, LU2, SO4, DMS |
Compared structures
- 6YA5 · 2009 H1N1 PA Endonuclease in complex with LU2 · 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 C3W5X6
- Elsewhere: RCSB PDB 6YA5 · PDBe 6YA5 · UniProt C3W5X6
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