Research workbench

Human acyl-coenzyme a thioesterase 12

Analyse Human acyl-coenzyme a thioesterase 12 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3B7K
Type: protein
Length: 769 residues
Chains: 3
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: 12 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 27% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acyl-coenzyme a thioesterase 12 (EC 3.1.2.1)	protein	267	27% helix, 41% strand	Q8WYK0
B	Acyl-coenzyme a thioesterase 12 (EC 3.1.2.1)	protein	247	28% helix, 40% strand	Q8WYK0
C	Acyl-coenzyme a thioesterase 12 (EC 3.1.2.1)	protein	255	27% helix, 41% strand	Q8WYK0

Ligands and binding sites

COA · Coenzyme A · ligand · 3 copies · chains A, B, C

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

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1183	0.84	0.85	123	empty
2	132	0.77	0.95	31	empty
3	99	0.73	0.95	28	empty
4	243	0.59	0.79	42	COA
5	165	0.54	0.80	32	COA

Interfaces

3 interfaces between chains.

B–C · 1309 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 1283 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 1255 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

3B7K · 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 C 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 3B7K · PDBe 3B7K · UniProt Q8WYK0

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