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MolNFT v1 · #111339 · protein

Structure of the N-terminal domain of sad

4YNZ · SERINE/THREONINE-protein kinase BRSK2: “Structure of the N-terminal domain of sad”. X-ray diffraction, 8 pockets (best druggability 0.85). MolNFT v1 #111339 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4YNZ
Type
protein
Length
636 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein kinase BRSK2
EC
2.7.11.26
UniProt
Q69Z98
Pockets
8 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE-protein kinase BRSK2 (EC 2.7.11.26)protein31343% helix, 15% strandQ69Z98
BSERINE/THREONINE-protein kinase BRSK2 (EC 2.7.11.26)protein32342% helix, 15% strandQ69Z98

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19780.850.8693empty
25960.720.8037empty
34290.690.8035empty
41350.500.8024empty
51000.430.7720empty

Interfaces

1 interface between chains.

  • A–B · 1168 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 4YNZ · Structure of the N-terminal domain of SAD · the same entry in another collection · chain A against A, TM-score 1.00
  • Q69Z98 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase BRSK2 (Q69Z98) · a predicted model of the same protein · chain A against A, TM-score 0.86

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