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Three-dimensional structure of a SIV PROTEASE(SLASH)INHIBITOR complex. implications for the design of HIV-1 and HIV-2 protease inhibitors

Analyse Three-dimensional structure of a SIV PROTEASE(SLASH)INHIBITOR complex.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1SIV
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SIV protease
UniProt: Q07387
Ligands: PSI
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	SIV protease	protein	99	6% helix, 53% strand	Q07387

Ligands and binding sites

PSI · methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate · ligand · 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	269	0.70	0.84	32	PSI

Interfaces

1 interface between chains.

A–B · 1712 Å² buried · 45 hydrogen bonds · protein-protein

Compared structures

1SIV · Three-dimensional structure of a SIV PROTEASE(SLASH)INHIBITOR complex. implications for… · 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 Q07387
Elsewhere: RCSB PDB 1SIV · PDBe 1SIV · UniProt Q07387

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