MolNFT v1 · #157915 · protein

4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-YL)BENZOIC acid bound to influenza 2009 PH1N1 endonuclease

6NEL · Polymerase acidic protein: “4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-YL)BENZOIC acid bound to influenza 2009 PH1N1…”. X-ray diffraction, 4 ligands (KKV, MN, MG), 1 pocket (best druggability 0.62). MolNFT v1 #157915…

PDB: 6NEL
Type: protein
Length: 202 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polymerase acidic protein
UniProt: C6H0Y9
Ligands: KKV, MN, MG, SO4
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polymerase acidic protein	protein	202	47% helix, 15% strand	C6H0Y9

Ligands and binding sites

KKV · 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid · ligand · chains A
MN · Manganese (II) ion · metal · 2 copies · chains A
MG · Magnesium ion · metal · chains A
SO4 · Sulfate ion · ion · 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	425	0.62	0.77	51	MN, MG, KKV

Compared structures

6NEL · 4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to… · 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 C6H0Y9
Elsewhere: RCSB PDB 6NEL · PDBe 6NEL · UniProt C6H0Y9

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