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The crystal structure of sumo-like domain 2 in NIP45

Analyse The crystal structure of sumo-like domain 2 in NIP45 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3A4R
Type
protein
Length
154 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NFATC2-interacting protein
UniProt
O09130
Ligands
SO4
Pockets
1 · best druggability 0.37

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANFATC2-interacting proteinprotein7920% helix, 29% strandO09130
BNFATC2-interacting proteinprotein7521% helix, 28% strandO09130

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains B
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1990.370.7520empty

Interfaces

1 interface between chains.

  • A–B · 288 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3A4R · The crystal structure of SUMO-like domain 2 in Nip45 · the same entry in another collection · chain A against A, TM-score 1.00
  • O09130 · AlphaFold monomer V2.0 prediction for NFATC2-interacting protein (O09130) · a predicted model of the same protein · chain B against A, TM-score 0.93

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