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MolNFT v1 · #108311 · protein

The structure of a-pgs from pseudomonas aeruginosa (semet derivative)

4V34 · Alanyl-tRNA-dependent L-alanyl- phophatidylglycerol synthase: “The structure of a-pgs from pseudomonas aeruginosa (semet derivative)”. X-ray diffraction, 2 ligands (CL, SO4), 5 pockets (best druggability 0.68). MolNFT v1 #108311 on…

PDB
4V34
Type
protein
Length
323 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alanyl-tRNA-dependent L-alanyl- phophatidylglycerol synthase
EC
2.3.2.11
UniProt
Q9I537
Ligands
CL, SO4
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlanyl-tRNA-dependent L-alanyl- phophatidylglycerol synthase (EC 2.3.2.11)protein32338% helix, 28% strandQ9I537

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11660.680.8838CL
21460.500.7824empty
3970.470.8018empty
41380.430.7517empty
5650.320.7515empty

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

  • 4V34 · The Structure of A-PGS from Pseudomonas aeruginosa (SeMet derivative) · the same entry in another collection · chain A against A, TM-score 1.00

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