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MolNFT v1 · #116600 · protein

Crystal structure of LPG0406 in reduced form from legionella pneumophila

5DIP · Alkyl hydroperoxide reductase ahpd: “Crystal structure of LPG0406 in reduced form from legionella pneumophila”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.44). MolNFT v1 #116600 on GenesisL1: 3D structure…

PDB
5DIP
Type
protein
Length
224 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alkyl hydroperoxide reductase ahpd
EC
1.11.1.15
UniProt
A0A0C9P2U2
Ligands
NA
Pockets
2 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAlkyl hydroperoxide reductase ahpd (EC 1.11.1.15)protein11281% helix, 0% strandA0A0C9P2U2

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11940.440.7321NA
21310.360.7220NA

Interfaces

1 interface between chains.

  • A–B · 1383 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 5DIP · Crystal structure of lpg0406 in reduced form from Legionella pneumophila · the same entry in another collection · chain A against A, TM-score 1.00

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