MolNFT v1 · #70711 · protein

Crystal structure of dest in complex with palmitoyl-CoA

3LSJ: “Crystal structure of dest in complex with palmitoyl-CoA”. X-ray diffraction, 2 ligands (PLM, COA), 5 pockets (best druggability 0.77). MolNFT v1 #70711 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3LSJ
Type: protein
Length: 409 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dest
UniProt: Q9HUS3
Ligands: PLM, COA
Pockets: 5 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dest	protein	205	72% helix, 0% strand	Q9HUS3
B	Dest	protein	204	75% helix, 0% strand	Q9HUS3

Ligands and binding sites

PLM · Palmitic acid · ligand · 2 copies · chains A, B
COA · Coenzyme A · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	341	0.77	0.87	35	PLM
2	298	0.76	0.87	34	PLM
3	239	0.63	0.82	28	empty
4	254	0.61	0.80	28	empty
5	90	0.44	0.80	29	empty

Interfaces

1 interface between chains.

A–B · 1924 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

3LSJ · Crystal structure of DesT in complex with palmitoyl-CoA · 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 Q9HUS3
Elsewhere: RCSB PDB 3LSJ · PDBe 3LSJ · UniProt Q9HUS3

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