MolNFT v1 · #137535 · protein

2009 H1N1 pa endonuclease in complex with ro-7 and magnesium

5VRJ · Polymerase acidic protein: “2009 H1N1 pa endonuclease in complex with ro-7 and magnesium”. X-ray diffraction, 3 ligands (R07, MG, SO4), 1 pocket (best druggability 0.65). MolNFT v1 #137535 on GenesisL1: 3D structure, binding sites…

PDB: 5VRJ
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: R07, MG, SO4
Pockets: 1 · best druggability 0.65

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

R07 · 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione · ligand · chains A
MG · Magnesium ion · metal · 2 copies · 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	450	0.65	0.78	45	R07

Compared structures

5VRJ · 2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium · 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 5VRJ · PDBe 5VRJ · UniProt C3W5S0

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