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Wt HTLV-1 protease in complex with phosphonated UMASS6 (PU6)

Analyse Wt HTLV-1 protease in complex with phosphonated UMASS6 (PU6) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6W6S
Type: protein
Length: 232 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HTLV-1 protease
UniProt: A0A1Y1C9N2
Ligands: TK7
Pockets: 1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	HTLV-1 protease	protein	116	8% helix, 41% strand	A0A1Y1C9N2

Ligands and binding sites

TK7 · Diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2, 3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate · ligand · chains B, A

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	470	0.73	0.81	36	TK7

Interfaces

1 interface between chains.

B–A · 1935 Å² buried · 35 hydrogen bonds · protein-protein

Compared structures

6W6S · WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6) · the same entry in another collection · chain B against B, 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 A0A1Y1C9N2
Elsewhere: RCSB PDB 6W6S · PDBe 6W6S · UniProt A0A1Y1C9N2

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