MolNFT v1 · #159419 · protein

HIV-1 protease NL4-3 L89V, L90M mutant in complex with darunavir

6OOT · NL4-3 protease: “HIV-1 protease NL4-3 L89V, L90M mutant in complex with darunavir”. X-ray diffraction, 2 ligands (017, SO4), 1 pocket (best druggability 0.68). MolNFT v1 #159419 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6OOT
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NL4-3 protease
UniProt: Q3HWC9
Ligands: 017, SO4
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	NL4-3 protease	protein	99	4% helix, 53% strand	Q3HWC9

Ligands and binding sites

017 · (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate · ligand · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B

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	372	0.68	0.81	40	017

Interfaces

1 interface between chains.

A–B · 1827 Å² buried · 37 hydrogen bonds · protein-protein

Compared structures

6OOT · HIV-1 Protease NL4-3 L89V, L90M Mutant in complex with darunavir · 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 Q3HWC9
Elsewhere: RCSB PDB 6OOT · PDBe 6OOT · UniProt Q3HWC9

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.