MolNFT v1 · #112759 · protein

Crystal structure of the N- and C-terminal domains of mouse acyl-CoA thioesterase 7

4ZV3 · Cytosolic acyl coenzyme a thioester hydrolase: “Crystal structure of the N- and C-terminal domains of mouse acyl-CoA thioesterase 7”. X-ray diffraction, 1 ligand (COA), 18 pockets (best druggability 0.86). MolNFT v1 #112759 on…

PDB: 4ZV3
Type: protein
Length: 899 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytosolic acyl coenzyme a thioester hydrolase
EC: 3.1.2.2
UniProt: Q91V12
Ligands: COA
Pockets: 18 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2)	protein	299	27% helix, 36% strand	Q91V12
B, C	Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2)	protein	300	27% helix, 35% strand	Q91V12

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

18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	869	0.86	0.88	121	empty
2	932	0.85	0.87	114	empty
3	379	0.76	0.86	63	COA
4	163	0.68	0.88	33	empty
5	58	0.54	0.88	18	empty

Interfaces

3 interfaces between chains.

B–C · 1233 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 1215 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 1071 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

Q91V12 · AlphaFold monomer V2.0 prediction for cytosolic acyl coenzyme a thioester hydrolase… · 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 Q91V12
Elsewhere: RCSB PDB 4ZV3 · PDBe 4ZV3 · UniProt Q91V12

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