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The structure of human mitochondrial 2-enoyl thioester reductase (cgi- 63)

Analyse The structure of human mitochondrial 2-enoyl thioester reductase (cgi- 63) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1ZSY
Type: protein
Length: 347 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitochondrial 2-enoyl thioester reductase
EC: 1.3.1.38
UniProt: Q9BV79
Ligands: SO4
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitochondrial 2-enoyl thioester reductase (EC 1.3.1.38)	protein	347	33% helix, 24% strand	Q9BV79

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A
GOL · Glycerol · additive · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	742	0.77	0.82	77	SO4, GOL
2	63	0.32	0.76	15	empty

Compared structures

1ZSY · The structure of human mitochondrial 2-enoyl thioester reductase (CGI-63) · the same entry in another collection · chain A against A, TM-score 1.00
Q9BV79 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q9BV79
Elsewhere: RCSB PDB 1ZSY · PDBe 1ZSY · UniProt Q9BV79

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