MolNFT v1 · #26308 · protein

Human cytosolic acetoacetyl-CoA thiolase

1WL5 · Acetyl-coenzyme a acetyltransferase 2: “Human cytosolic acetoacetyl-CoA thiolase”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.60). MolNFT v1 #26308 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1WL5
Type: protein
Length: 394 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetyl-coenzyme a acetyltransferase 2
EC: 2.3.1.9
UniProt: Q9BWD1
Ligands: SO4
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetyl-coenzyme a acetyltransferase 2 (EC 2.3.1.9)	protein	394	40% helix, 23% strand	Q9BWD1

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	203	0.60	0.81	37	GOL
2	93	0.50	0.82	19	GOL

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

1WL5 · Human cytosolic acetoacetyl-CoA thiolase · the same entry in another collection · chain A against A, TM-score 1.00
Q9BWD1 · AlphaFold monomer V2.0 prediction for acetyl-CoA acetyltransferase, cytosolic (Q9BWD1) · a predicted model of the same protein · 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 Q9BWD1
Elsewhere: RCSB PDB 1WL5 · PDBe 1WL5 · UniProt Q9BWD1

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