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Lovastatin nonaketide synthase with lovc

Analyse Lovastatin nonaketide synthase with lovc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7CPY
Type
protein
Length
5,238 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lovastatin nonaketide synthase, enoyl reductase component lovc; Lovastatin nonaketide…
EC
2.3.1.161
UniProt
Q9Y7D0, Q9Y8A5
Ligands
NAP
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 2 distinct chains · 36% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DLovastatin nonaketide synthase, enoyl reductase component lovc (EC 2.3.1.161)protein35728% helix, 25% strandQ9Y7D0
A, BLovastatin nonaketide synthase, polyketide synthase component (EC 2.3.1.161)protein226237% helix, 21% strandQ9Y8A5

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17670.790.8270empty
27800.790.8275empty
38040.770.8176empty
43720.760.8649NAP
57800.760.8093empty

Interfaces

1 interface between chains.

  • A–B · 6661 Ų buried · 106 hydrogen bonds · protein-protein

Compared structures

  • 7CPY · Lovastatin nonaketide synthase with LovC · the same entry in another collection · chain C against C, TM-score 1.00
  • Q9Y7D0 · AlphaFold monomer V2.0 prediction for lovastatin nonaketide synthase, enoyl reductase… · a predicted model of the same protein · chain C against A, TM-score 0.99

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