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MolNFT v1 · #47102 · protein

Crystal structure of a protein with unknown function from DUF3224 family (SO_1590) from shewanella oneidensis mr-1 at 1.84 a resolution

2OOJ · Hypothetical protein: “Crystal structure of a protein with unknown function from DUF3224 family (SO_1590) from shewanella oneidensis…”. X-ray diffraction, 1 ligand (MSE), 2 pockets (best druggability 0.51). MolNFT v1 #47102 on…

PDB
2OOJ
Type
protein
Length
265 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein
UniProt
Q8EGL1
Ligands
MSE
Pockets
2 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 71% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical proteinprotein1310% helix, 70% strandQ8EGL1
BHypothetical proteinprotein1340% helix, 71% strandQ8EGL1

Ligands and binding sites

  • MSE · Selenomethionine · ligand · chains B
  • ACT · Acetate ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11680.510.7726empty
21650.470.7624empty

Interfaces

1 interface between chains.

  • A–B · 1798 Ų buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 1 covalent (engineered, covalent ligand).

Compared structures

  • 2OOJ · Crystal structure of a protein with unknown function from DUF3224 family (SO_1590) from… · the same entry in another collection · chain A against A, TM-score 1.00

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