MolNFT v1 · #154799 · protein

100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic kvs-1

6KMP: “100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic…”. X-ray diffraction, 1 ligand (KVS), 1 pocket (best druggability 0.73). MolNFT v1 #154799 on GenesisL1: 3D structure, binding…

PDB: 6KMP
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protease
UniProt: Q903T0
Ligands: KVS
Pockets: 1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protease	protein	99	4% helix, 55% strand	Q903T0

Ligands and binding sites

KVS · N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl) amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide · 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	352	0.73	0.84	36	KVS

Interfaces

1 interface between chains.

A–B · 1830 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

6KMP · 100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral… · 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 Q903T0
Elsewhere: RCSB PDB 6KMP · PDBe 6KMP · UniProt Q903T0

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.