MolNFT v1 · #58545 · protein

Crystal structure of aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (lovc) with bound NADP

3B70: “Crystal structure of aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (lovc) with bound…”. X-ray diffraction, 1 ligand (NAP), 2 pockets (best druggability 0.78). MolNFT v1 #58545 on GenesisL1: 3D structure…

PDB: 3B70
Type: protein
Length: 357 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl reductase
UniProt: Q9Y7D0
Ligands: NAP
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl reductase	protein	357	28% helix, 25% strand	Q9Y7D0

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
GOL · Glycerol · additive · 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	735	0.78	0.82	70	NAP, GOL
2	132	0.39	0.74	14	empty

Compared structures

3B70 · Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl… · the same entry in another collection · chain A against A, TM-score 1.00
Q9Y7D0 · AlphaFold monomer V2.0 prediction for lovastatin nonaketide synthase, enoyl reductase… · 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 Q9Y7D0
Elsewhere: RCSB PDB 3B70 · PDBe 3B70 · UniProt Q9Y7D0

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