MolNFT v1 · #85495 · protein

Crystal structure of human THEM4

4AE8 · Thioesterase superfamily member 4: “Crystal structure of human THEM4”. X-ray diffraction, 4 pockets (best druggability 0.81). MolNFT v1 #85495 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4AE8
Type: protein
Length: 666 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioesterase superfamily member 4
UniProt: Q5T1C6
Pockets: 4 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 24% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thioesterase superfamily member 4	protein	167	23% helix, 42% strand	Q5T1C6
B	Thioesterase superfamily member 4	protein	166	25% helix, 42% strand	Q5T1C6
C	Thioesterase superfamily member 4	protein	168	24% helix, 41% strand	Q5T1C6
D	Thioesterase superfamily member 4	protein	165	24% helix, 41% strand	Q5T1C6

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1084	0.81	0.82	88	empty
2	331	0.69	0.82	36	empty
3	308	0.65	0.80	36	empty
4	315	0.64	0.80	40	empty

Interfaces

5 interfaces between chains.

C–D · 1381 Å² buried · 25 hydrogen bonds · protein-protein
A–B · 1380 Å² buried · 25 hydrogen bonds · protein-protein
B–D · 265 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 119 Å² buried · 1 hydrogen bond · protein-protein
A–D · 65 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4AE8 · Crystal structure of human THEM4 · the same entry in another collection · chain D against D, TM-score 1.00
Q5T1C6 · AlphaFold monomer V2.0 prediction for acyl-coenzyme a thioesterase THEM4 (Q5T1C6) · 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 Q5T1C6
Elsewhere: RCSB PDB 4AE8 · PDBe 4AE8 · UniProt Q5T1C6

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.