Research workbench

Crystal structure of wild-type HIV-1 protease in complex with MKP97

Analyse Crystal structure of wild-type HIV-1 protease in complex with MKP97 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4DJR
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pol polyprotein
UniProt: Q90K99
Ligands: 0KJ, PO4
Pockets: 1 · best druggability 0.69

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Pol polyprotein	protein	99	4% helix, 55% strand	Q90K99

Ligands and binding sites

0KJ · [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate · ligand · chains A, B
PO4 · Phosphate ion · ion · 3 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	381	0.69	0.82	33	0KJ

Interfaces

1 interface between chains.

A–B · 1841 Å² buried · 41 hydrogen bonds · protein-protein

Compared structures

4DJR · Crystal Structure of wild-type HIV-1 Protease in Complex with MKP97 · 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 Q90K99
Elsewhere: RCSB PDB 4DJR · PDBe 4DJR · UniProt Q90K99

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