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Protease E35D-SQV

Analyse Protease E35D-SQV in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5KQX
Type: protein
Length: 198 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.4
Source: Human immunodeficiency virus 1
Molecule: Protease E35D-SQV
UniProt: C8BD48
Ligands: ROC
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · resolution 2.4 · 1 distinct chain · 4% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protease E35D-SQV	protein	99	4% helix, 57% strand	C8BD48

Ligands and binding sites

ROC · (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide · 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	420	0.72	0.82	35	ROC

Interfaces

1 interface between chains.

A–B · 1862 Å² buried · 40 hydrogen bonds · protein-protein

Compared structures

5KQX · Protease E35D-sqv · 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 C8BD48
Elsewhere: RCSB PDB 5KQX · PDBe 5KQX · UniProt C8BD48

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