MolNFT v1 · #100129 · protein

Acyl-coenzyme a thioesterase 12 in complex with ADP

4MOB: “Acyl-coenzyme a thioesterase 12 in complex with ADP”. X-ray diffraction, 2 ligands (COA, ADP), 3 pockets (best druggability 0.66). MolNFT v1 #100129 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4MOB
Type: protein
Length: 319 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acyl-coenzyme a thioesterase 12
EC: 3.1.2.1
UniProt: Q8WYK0
Ligands: COA, ADP
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acyl-coenzyme a thioesterase 12 (EC 3.1.2.1)	protein	319	33% helix, 35% strand	Q8WYK0

Ligands and binding sites

COA · Coenzyme A · ligand · chains A
ADP · Adenosine-5'-diphosphate · ligand · chains A

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

Pockets

3 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	460	0.66	0.78	54	COA, ADP
2	124	0.59	0.84	24	empty
3	60	0.27	0.73	18	empty

Compared structures

4MOB · Acyl-Coenzyme A thioesterase 12 in complex with ADP · the same entry in another collection · chain A against A, TM-score 1.00
Q8WYK0 · AlphaFold monomer V2.0 prediction for acetyl-coenzyme a thioesterase (Q8WYK0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q8WYK0
Elsewhere: RCSB PDB 4MOB · PDBe 4MOB · UniProt Q8WYK0

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