MolNFT v1 · #173398 · protein

Crystal structure of human mitochondrial 2-enoyl thioester reductase (mecr) with single mutation G165Q

7AYC · Enoyl-[acyl-carrier-protein] reductase, mitochondrial: “Crystal structure of human mitochondrial 2-enoyl thioester reductase (mecr) with single mutation G165Q”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.75).…

PDB: 7AYC
Type: protein
Length: 338 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-[acyl-carrier-protein] reductase, mitochondrial
EC: 1.3.1.104
UniProt: Q9BV79
Ligands: CL
Pockets: 1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl-[acyl-carrier-protein] reductase, mitochondrial (EC 1.3.1.104)	protein	338	33% helix, 23% strand	Q9BV79

Ligands and binding sites

CL · Chloride ion · ion · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	784	0.75	0.80	68	CL

Compared structures

7AYC · Crystal Structure of human mitochondrial 2-Enoyl Thioester Reductase (MECR) with single… · 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 7AYC · PDBe 7AYC · UniProt Q9BV79

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