MolNFT v1 · #99984 · protein

3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-YL)BENZONITRILE bound to influenza 2009 PH1N1 endonuclease

4MK2 · Polymerase pa: “3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-YL)BENZONITRILE bound to influenza 2009 PH1N1 endonuclease”. X-ray diffraction, 3 ligands (28B, MN, SO4), 1 pocket (best druggability 0.64). MolNFT v1 #99984 on GenesisL1: 3D…

PDB: 4MK2
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: 28B, MN, SO4
Pockets: 1 · best druggability 0.64

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

28B · 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	415	0.64	0.78	48	MN, EDO, 28B

Compared structures

4MK2 · 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile bound to influenza 2009 pH1N1… · 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 4MK2 · PDBe 4MK2 · UniProt M9V5A4

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