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Crystal structure of a ntf-2 like protein of unknown function (SPO1084) from silicibacter pomeroyi dss-3 at 1.69 a resolution

Analyse Crystal structure of a ntf-2 like protein of unknown function (SPO1084) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FKA
Type
protein
Length
477 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized ntf-2 like protein
UniProt
Q5LUH0
Ligands
UNL
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, DUncharacterized ntf-2 like proteinprotein11933% helix, 50% strandQ5LUH0
BUncharacterized ntf-2 like proteinprotein12033% helix, 49% strandQ5LUH0

Ligands and binding sites

  • UNL · Unknown ligand · ligand · 9 copies · chains A, B, C, D
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, C, D
  • ACT · Acetate ion · additive · 3 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11300.750.9541empty
2670.620.9017UNL
3600.330.7715empty

Interfaces

6 interfaces between chains.

  • A–B · 1399 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 1365 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 601 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 589 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 39 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

  • 3FKA · Crystal structure of a ntf-2 like protein of unknown function (SPO1084) from silicibacter… · the same entry in another collection · chain A against A, TM-score 1.00

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