MolNFT v1 · #99987 · protein
6-(3-METHOXYPHENYL)PYRIDINE-2,3-diol bound to influenza 2009 PH1N1 endonuclease
4MK5 · Polymerase pa: “6-(3-METHOXYPHENYL)PYRIDINE-2,3-diol bound to influenza 2009 PH1N1 endonuclease”. X-ray diffraction, 3 ligands (28A, MN, SO4), 1 pocket (best druggability 0.62). MolNFT v1 #99987 on GenesisL1: 3D structure, binding…
- PDB
- 4MK5
- Type
- protein
- Length
- 200 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase pa
- UniProt
- M9V5A4
- Ligands
- 28A, MN, SO4
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase pa | protein | 200 | 48% helix, 16% strand | M9V5A4 |
Ligands and binding sites
- 28A · 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one · ligand · chains A
- MN · Manganese (II) ion · metal · 3 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · 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 | 391 | 0.62 | 0.77 | 39 | MN, EDO, 28A |
Compared structures
- 4MK5 · 6-(3-methoxyphenyl)pyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease · 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 M9V5A4
- Elsewhere: RCSB PDB 4MK5 · PDBe 4MK5 · UniProt M9V5A4
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