MolNFT v1 · #108234 · protein

Dengue virus full length NS5 complexed with sah

4V0Q · NS5 polymerase: “Dengue virus full length NS5 complexed with sah”. X-ray diffraction, 2 ligands (SAH, ZN), 11 pockets (best druggability 0.80). MolNFT v1 #108234 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4V0Q
Type: protein
Length: 851 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NS5 polymerase
UniProt: Q6DLV0
Ligands: SAH, ZN
Pockets: 11 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NS5 polymerase	protein	851	45% helix, 12% strand	Q6DLV0

Ligands and binding sites

SAH · S-adenosyl-L-homocysteine · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A
ACT · Acetate ion · additive · 6 copies · chains A
GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	170	0.80	0.96	27	empty
2	570	0.70	0.79	60	ACT, GOL
3	516	0.65	0.77	45	SAH, ACT
4	210	0.54	0.78	36	empty
5	115	0.54	0.82	23	empty

Compared structures

4V0Q · Dengue Virus Full Length NS5 Complexed with SAH · 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 Q6DLV0
Elsewhere: RCSB PDB 4V0Q · PDBe 4V0Q · UniProt Q6DLV0

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