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MolNFT v1 · #89725 · protein

Human SUN2-KASH1 complex

4DXR · Sun domain-containing protein 2: “Human SUN2-KASH1 complex”. X-ray diffraction, 1 ligand (K), 1 pocket (best druggability 0.53). MolNFT v1 #89725 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4DXR
Type
protein
Length
221 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sun domain-containing protein 2; Nesprin-1
UniProt
Q9UH99, Q8NF91
Ligands
K
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASun domain-containing protein 2protein19615% helix, 41% strandQ9UH99
BNesprin-1protein2512% helix, 16% strandQ8NF91

Ligands and binding sites

  • K · Potassium ion · metal · chains A
  • DMU · Decyl-beta-D-maltopyranoside · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1740.530.8522empty

Interfaces

1 interface between chains.

  • A–B · 767 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4DXR · Human SUN2-KASH1 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UH99 · AlphaFold monomer V2.0 prediction for sun domain-containing protein 2 (Q9UH99) · a predicted model of the same protein · chain A against A, TM-score 0.95

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