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Crystal structure of a DUF89 family protein (AF1104) from archaeoglobus fulgidus dsm 4304 at 2.45 a resolution

Analyse Crystal structure of a DUF89 family protein (AF1104) from archaeoglobus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2FFJ
Type
protein
Length
538 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Conserved hypothetical protein
Ligands
SO4, CL
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AConserved hypothetical proteinprotein26758% helix, 14% strand—
BConserved hypothetical proteinprotein27156% helix, 14% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14720.680.7949SO4
24130.660.7947empty
34110.650.7838SO4
4920.390.7618empty
5510.260.7312empty

Interfaces

1 interface between chains.

  • A–B · 1139 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 2FFJ · CRYSTAL STRUCTURE OF a DUF89 family protein (AF1104) FROM ARCHAEOGLOBUS FULGIDUS DSM 4304… · the same entry in another collection · chain A against A, TM-score 1.00

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