MolNFT v1 · #73990 · protein

Crystal structure of the bacillus cereus enoyl-acyl carrier protein reductase (apo form)

3OJE · Enoyl-[acyl-carrier-protein] reductase (fabl) (NADPH): “Crystal structure of the bacillus cereus enoyl-acyl carrier protein reductase (apo form)”. X-ray diffraction, 4 pockets (best druggability 0.52). MolNFT v1 #73990 on GenesisL1…

PDB: 3OJE
Type: protein
Length: 222 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-[acyl-carrier-protein] reductase (fabl) (NADPH)
EC: 1.3.1.9
UniProt: Q81GI3
Pockets: 4 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl-[acyl-carrier-protein] reductase (fabl) (NADPH) (EC 1.3.1.9)	protein	222	37% helix, 16% strand	Q81GI3

Pockets

4 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	95	0.52	0.83	18	empty
2	61	0.44	0.83	15	empty
3	51	0.44	0.85	17	empty
4	103	0.42	0.77	27	empty

Compared structures

3OJE · Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase (Apo form) · the same entry in another collection · chain A against A, TM-score 1.00
Q81GI3 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADH] fabi… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q81GI3
Elsewhere: RCSB PDB 3OJE · PDBe 3OJE · UniProt Q81GI3

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