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MolNFT v1 · #54815 · protein

Crystal structure of pseudomonas aeruginosa opdo

2Y0K · Pyroglutatmate porin opdo: “Crystal structure of pseudomonas aeruginosa opdo”. X-ray diffraction, 4 pockets (best druggability 0.62). MolNFT v1 #54815 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2Y0K
Type
protein
Length
364 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pyroglutatmate porin opdo
UniProt
Q9I202
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 62% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APyroglutatmate porin opdoprotein3643% helix, 62% strandQ9I202

Ligands and binding sites

  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 11 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15510.620.7558empty
21530.480.7721empty
31170.380.7517empty
4680.340.7718empty

Compared structures

  • 2Y0K · Crystal Structure of Pseudomonas Aeruginosa OpdO · the same entry in another collection · chain A against A, TM-score 1.00

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