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Crystal structure of a DUF692 family protein (HS_1138) from haemophilus somnus 129PT at 2.20 a resolution

Analyse Crystal structure of a DUF692 family protein (HS_1138) from haemophilus somnus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BWW
Type
protein
Length
253 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein of unknown function DUF692/COG3220
UniProt
Q0I408
Ligands
FE
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein of unknown function DUF692/COG3220protein25347% helix, 13% strandQ0I408

Ligands and binding sites

  • FE · Fe (III) ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A
  • CAC · Cacodylate ion · additive · chains A

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
11360.610.8524EDO
21340.440.7627FE, CAC

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

  • 3BWW · Crystal structure of a duf692 family protein (hs_1138) from haemophilus somnus 129pt at… · the same entry in another collection · chain A against A, TM-score 1.00

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