MolNFT v1 · #179524 · protein

The crystal structure of the 2009 H1N1 pa endonuclease in complex with SJ000986436

7K87 · Protein pa-X: “The crystal structure of the 2009 H1N1 pa endonuclease in complex with SJ000986436”. X-ray diffraction, 3 ligands (QQ4, W5V, MN), 1 pocket (best druggability 0.64). MolNFT v1 #179524 on GenesisL1: 3D structure…

PDB: 7K87
Type: protein
Length: 181 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein pa-X
UniProt: A0A4D6EED0, C6H0Y9
Ligands: QQ4, W5V, MN
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein pa-X	protein	181	52% helix, 13% strand	A0A4D6EED0, C6H0Y9

Ligands and binding sites

QQ4 · Hexa Vinylpyrrolidone K15 · ligand · chains A
W5V · 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide · 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	448	0.64	0.77	45	MN, W5V

Compared structures

7K87 · The crystal structure of the 2009 H1N1 PA endonuclease in complex with SJ000986436 · 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 A0A4D6EED0
Every structure of UniProt C6H0Y9
Elsewhere: RCSB PDB 7K87 · PDBe 7K87 · UniProt A0A4D6EED0 · UniProt C6H0Y9

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