MolNFT v1 · #29782 · protein

Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor boc-phe- PSI[S-CH(OH)CH2NH]-phe-glu-phe-NH2

1ZJ7 · Protease retropepsin: “Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine…”. X-ray diffraction, 1 ligand (0ZT), 2 pockets (best druggability 0.43). MolNFT v1 #29782 on GenesisL1: 3D…

PDB: 1ZJ7
Type: protein
Length: 99 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: 0ZT
Pockets: 2 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protease retropepsin (EC 3.4.23.16)	protein	99	4% helix, 48% strand	P03367

Ligands and binding sites

0ZT · N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide · 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	125	0.43	0.76	19	empty
2	76	0.31	0.74	17	empty

Compared structures

1ZJ7 · Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a… · 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 1ZJ7 · PDBe 1ZJ7 · UniProt P03367

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