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MolNFT v1 · #29521 · protein

Crystal structure of xylella fastidiosa organic peroxide resistance protein

1ZB9 · Organic hydroperoxide resistance protein: “Crystal structure of xylella fastidiosa organic peroxide resistance protein”. X-ray diffraction, 2 pockets (best druggability 0.47). MolNFT v1 #29521 on GenesisL1: 3D structure, binding…

PDB
1ZB9
Type
protein
Length
283 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Organic hydroperoxide resistance protein
UniProt
Q9PCF4
Pockets
2 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOrganic hydroperoxide resistance proteinprotein14232% helix, 32% strandQ9PCF4
BOrganic hydroperoxide resistance proteinprotein14133% helix, 31% strandQ9PCF4

Ligands and binding sites

  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · 2 copies · chains A, 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
11610.470.7619PE4
21270.410.7518PE4

Interfaces

1 interface between chains.

  • A–B · 2944 Ų buried · 55 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

  • 1ZB9 · Crystal structure of Xylella fastidiosa organic peroxide resistance protein · the same entry in another collection · chain A against A, TM-score 1.00

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