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MolNFT v1 · #74517 · protein

Crystal structure of a geranylgeranyl bacteriochlorophyll reductase- like (TA0516) from thermoplasma acidophilum at 1.60 a resolution

3OZ2 · Digeranylgeranylglycerophospholipid reductase: “Crystal structure of a geranylgeranyl bacteriochlorophyll reductase- like (TA0516) from thermoplasma…”. X-ray diffraction, 2 ligands (FAD, OZ2), 1 pocket (best druggability 0.87).…

PDB
3OZ2
Type
protein
Length
397 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Digeranylgeranylglycerophospholipid reductase
EC
1.3.1.-
UniProt
Q9HKS9
Ligands
FAD, OZ2
Pockets
1 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADigeranylgeranylglycerophospholipid reductase (EC 1.3.1.-)protein39737% helix, 29% strandQ9HKS9

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • OZ2 · (2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 11 copies · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111680.870.88118FAD, OZ2, EDO, GOL

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3OZ2 · Crystal structure of a geranylgeranyl bacteriochlorophyll reductase-like (Ta0516) from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HKS9 · AlphaFold monomer V2.0 prediction for digeranylgeranylglycerophospholipid reductase… · a predicted model of the same protein · chain A against A, TM-score 0.98

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