MolNFT v1 · #138257 · protein

Crystal structure of the influenza virus pa endonuclease in complex with inhibitor 9E (sri-29843)

5WDC · Polymerase acidic protein: “Crystal structure of the influenza virus pa endonuclease in complex with inhibitor 9E (sri-29843)”. X-ray diffraction, 3 ligands (G2K, MN, SO4), 1 pocket (best druggability 0.61). MolNFT v1 #138257 on…

PDB: 5WDC
Type: protein
Length: 179 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polymerase acidic protein
UniProt: C3W5S0
Ligands: G2K, MN, SO4
Pockets: 1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polymerase acidic protein	protein	179	53% helix, 13% strand	C3W5S0

Ligands and binding sites

G2K · 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide · ligand · chains A
MN · Manganese (II) ion · metal · 2 copies · chains A
SO4 · Sulfate ion · ion · 2 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	374	0.61	0.77	47	MN, G2K

Compared structures

5WDC · Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9e… · 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 C3W5S0
Elsewhere: RCSB PDB 5WDC · PDBe 5WDC · UniProt C3W5S0

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