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MolNFT v1 · #174257 · protein

Structural and mechanistic insights into the biosynthesis of digeranylgeranylglyceryl phosphate synthase in membranes

7BPU: “Structural and mechanistic insights into the biosynthesis of digeranylgeranylglyceryl phosphate synthase in…”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.70). MolNFT v1 #174257 on GenesisL1: 3D structure…

PDB
7BPU
Type
protein
Length
558 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Digeranylgeranylglyceryl phosphate synthase
EC
2.5.1.42
UniProt
Q57727
Ligands
PO4
Pockets
4 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 81% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDigeranylgeranylglyceryl phosphate synthase (EC 2.5.1.42)protein27981% helix, 1% strandQ57727

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16600.700.7869empty
25300.690.7955empty
32360.470.7228empty
4730.280.7222empty

Interfaces

1 interface between chains.

  • A–B · 104 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7BPU · Structural and mechanistic insights into the biosynthesis of Digeranylgeranylglyceryl… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q57727 · AlphaFold monomer V2.0 prediction for digeranylgeranylglyceryl phosphate synthase (Q57727) · a predicted model of the same protein · chain A against A, TM-score 0.91

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