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MolNFT v1 · #103987 · protein

Crystal structure of lipid phosphatase E. COLI pgpb

4PX7 · Phosphatidylglycerophosphatase: “Crystal structure of lipid phosphatase E. COLI pgpb”. X-ray diffraction, 4 pockets (best druggability 0.68). MolNFT v1 #103987 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4PX7
Type
protein
Length
251 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylglycerophosphatase
EC
3.1.3.27, 3.6.1.27
UniProt
C6EFV6
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphatidylglycerophosphatase (EC 3.1.3.27, 3.6.1.27)protein25170% helix, 1% strandC6EFV6

Ligands and binding sites

  • LDA · Lauryl dimethylamine-N-oxide · additive · chains A
  • GOL · Glycerol · additive · chains A

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
14510.680.7945LDA, GOL
2750.520.8520empty
3560.380.7914empty
4780.330.7422empty

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

  • 4PX7 · Crystal structure of lipid phosphatase E. coli PgpB · the same entry in another collection · chain A against A, TM-score 1.00

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