MolNFT v1 · #123824 · protein

Apo structure

5JWH · NS3 helicase: “Apo structure”. X-ray diffraction, 2 pockets (best druggability 0.82). MolNFT v1 #123824 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5JWH
Type: protein
Length: 439 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NS3 helicase
Pockets: 2 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NS3 helicase	protein	439	34% helix, 18% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1146	0.82	0.83	93	empty
2	280	0.64	0.81	43	empty

Compared structures

5JWH · Apo structure · 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
Elsewhere: RCSB PDB 5JWH · PDBe 5JWH

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