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Influenza strain PH1N1 2009 polymerase subunit pa endonuclease in complex with diketo compound 1

Analyse Influenza strain PH1N1 2009 polymerase subunit pa endonuclease in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4AWK
Type: protein
Length: 174 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polymerase pa
UniProt: C3W5S0
Ligands: CI1, MN
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polymerase pa	protein	174	55% helix, 13% strand	C3W5S0

Ligands and binding sites

CI1 · (2Z)-4-[(3S)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid · ligand · chains A
MN · Manganese (II) ion · metal · 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	575	0.68	0.78	49	CI1, MN

Compared structures

4AWK · Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo… · 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 4AWK · PDBe 4AWK · UniProt C3W5S0

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