MolNFT v1 · #182617 · protein

Crystal structure of HIV-1 PRS17 with grl-44-10A

7MYP · Protease: “Crystal structure of HIV-1 PRS17 with grl-44-10A”. X-ray diffraction, 2 ligands (G04, CL), 1 pocket (best druggability 0.72). MolNFT v1 #182617 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7MYP
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protease
UniProt: I7AJ09
Ligands: G04, CL
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protease	protein	99	4% helix, 54% strand	I7AJ09

Ligands and binding sites

G04 · (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate · ligand · chains A, B
CL · Chloride ion · ion · 2 copies · chains A
GOL · Glycerol · additive · 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	390	0.72	0.83	34	G04

Interfaces

1 interface between chains.

A–B · 1971 Å² buried · 37 hydrogen bonds · protein-protein

Compared structures

7MYP · Crystal Structure of HIV-1 PRS17 with GRL-44-10A · 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 I7AJ09
Elsewhere: RCSB PDB 7MYP · PDBe 7MYP · UniProt I7AJ09

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