MolNFT v1 · #159172 · protein

X-ray crystal structure of wild type HIV-1 protease in complex with grl-063

6OGP: “X-ray crystal structure of wild type HIV-1 protease in complex with grl-063”. X-ray diffraction, 1 ligand (MJD), 2 pockets (best druggability 0.46). MolNFT v1 #159172 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OGP
Type: protein
Length: 99 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protease
UniProt: Q8ULI2
Ligands: MJD
Pockets: 2 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protease	protein	99	7% helix, 49% strand	Q8ULI2

Ligands and binding sites

MJD · (3s,3ar,5r,7as,8s)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1, 3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate · ligand · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	150	0.46	0.76	18	empty
2	82	0.32	0.73	20	empty

Compared structures

6OGP · X-ray crystal structure of wild type HIV-1 protease in complex with GRL-063 · 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 Q8ULI2
Elsewhere: RCSB PDB 6OGP · PDBe 6OGP · UniProt Q8ULI2

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