MolNFT v1 · #65228 · protein

Lovastatin polyketide enoyl reductase (lovc) mutant K54S with bound NADP

3GQV: “Lovastatin polyketide enoyl reductase (lovc) mutant K54S with bound NADP”. X-ray diffraction, 1 ligand (NAP), 2 pockets (best druggability 0.74). MolNFT v1 #65228 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3GQV
Type: protein
Length: 352 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 0.74

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl reductase	protein	352	28% helix, 24% strand	Q9Y7D0

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
GOL · Glycerol · additive · 2 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	728	0.74	0.80	75	NAP, GOL
2	127	0.38	0.73	16	empty

Compared structures

3GQV · Lovastatin polyketide enoyl reductase (LovC) mutant K54S with bound NADP · 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 3GQV · PDBe 3GQV · UniProt Q9Y7D0

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