MolNFT v1 · #102959 · protein

Influenza a (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor

4P1U: “Influenza a (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor”. X-ray diffraction, 1 ligand (21G), 1 pocket (best druggability 0.43). MolNFT v1 #102959 on GenesisL1: 3D structure, binding sites and…

PDB: 4P1U
Type: protein
Length: 158 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polymerase basic protein 2
UniProt: P31345
Ligands: 21G
Pockets: 1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polymerase basic protein 2	protein	158	23% helix, 42% strand	P31345

Ligands and binding sites

21G · (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid · ligand · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	115	0.43	0.77	17	21G

Compared structures

4P1U · Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole… · 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 P31345
Elsewhere: RCSB PDB 4P1U · PDBe 4P1U · UniProt P31345

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