MolNFT v1 · #100130 · protein

Human acyl-coenzyme a thioesterase 12

4MOC: “Human acyl-coenzyme a thioesterase 12”. X-ray diffraction, 1 ligand (COA), 4 pockets (best druggability 0.61). MolNFT v1 #100130 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4MOC
Type: protein
Length: 273 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
Pockets: 4 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acyl-coenzyme a thioesterase 12 (EC 3.1.2.1)	protein	273	26% helix, 40% strand	Q8WYK0

Ligands and binding sites

COA · Coenzyme A · ligand · chains A

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

Pockets

4 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	130	0.61	0.86	30	empty
2	201	0.54	0.78	36	COA
3	58	0.35	0.78	15	empty
4	91	0.33	0.74	15	empty

Compared structures

4MOC · Human Acyl-coenzyme A Thioesterase 12 · 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 4MOC · PDBe 4MOC · UniProt Q8WYK0

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