MolNFT v1 · #108235 · protein

Dengue virus full length NS5 complexed with GTP and sah

4V0R · NS5 polymerase: “Dengue virus full length NS5 complexed with GTP and sah”. X-ray diffraction, 4 ligands (SAH, GTP, ZN), 8 pockets (best druggability 0.80). MolNFT v1 #108235 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4V0R
Type: protein
Length: 852 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NS5 polymerase
UniProt: Q6DLV0
Ligands: SAH, GTP, ZN, MG
Pockets: 8 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NS5 polymerase	protein	852	44% helix, 11% strand	Q6DLV0

Ligands and binding sites

SAH · S-adenosyl-L-homocysteine · ligand · chains A
GTP · Guanosine-5'-triphosphate · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A
MG · Magnesium ion · metal · 2 copies · chains A
FMT · Formic acid · additive · 3 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	160	0.80	0.96	27	empty
2	717	0.72	0.79	72	FMT, GOL
3	492	0.63	0.76	45	SAH
4	217	0.57	0.79	30	empty
5	185	0.55	0.79	34	empty

Compared structures

4V0R · Dengue virus full length NS5 complexed with GTP and 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 4V0R · PDBe 4V0R · UniProt Q6DLV0

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