MolNFT v1 · #31572 · protein

HIV-1 protease NL4-3 3X mutant in complex with inhibitor, tl-3

2AZB · Protease retropepsin: “HIV-1 protease NL4-3 3X mutant in complex with inhibitor, tl-3”. X-ray diffraction, 1 ligand (3TL), 2 pockets (best druggability 0.45). MolNFT v1 #31572 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2AZB
Type: protein
Length: 97 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protease retropepsin
EC: 3.4.23.16
UniProt: P03367
Ligands: 3TL
Pockets: 2 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protease retropepsin (EC 3.4.23.16)	protein	97	7% helix, 44% strand	P03367

Ligands and binding sites

3TL · benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate · ligand · 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	142	0.45	0.76	19	empty
2	56	0.28	0.74	16	empty

Compared structures

2AZB · HIV-1 Protease NL4-3 3X mutant in complex with inhibitor, TL-3 · 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 P03367
Elsewhere: RCSB PDB 2AZB · PDBe 2AZB · UniProt P03367

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