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MolNFT v1 · #49431 · protein

Crystal structure of PA0076 from pseudomonas aeruginosa PAO1 at 2.05 a resolution

2QNU · Uncharacterized protein PA0076: “Crystal structure of PA0076 from pseudomonas aeruginosa PAO1 at 2.05 a resolution”. X-ray diffraction, 1 pocket (best druggability 0.40). MolNFT v1 #49431 on GenesisL1: 3D structure, binding sites…

PDB
2QNU
Type
protein
Length
431 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein PA0076
UniProt
Q9I756
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein PA0076protein21137% helix, 24% strandQ9I756
BUncharacterized protein PA0076protein22035% helix, 23% strandQ9I756

Ligands and binding sites

  • ACT · Acetate ion · additive · 3 copies · chains A, B
  • PGE · Triethylene glycol · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1690.400.7913empty

Interfaces

1 interface between chains.

  • A–B · 2116 Ų buried · 35 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered, methylation).

Compared structures

  • 2QNU · Crystal structure of PA0076 from Pseudomonas aeruginosa PAO1 at 2.05 A resolution · the same entry in another collection · chain A against A, TM-score 1.00

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