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MolNFT v1 · #138960 · protein

Free serine kinase (E30A mutant) in complex with ADP

5X0G: “Free serine kinase (E30A mutant) in complex with ADP”. X-ray diffraction, 3 ligands (AMP, ADP, 7WF), 3 pockets (best druggability 0.67). MolNFT v1 #138960 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5X0G
Type
protein
Length
239 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Free serine kinase
UniProt
Q5JD03
Ligands
AMP, ADP, 7WF
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFree serine kinaseprotein23935% helix, 28% strandQ5JD03

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · chains A
  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • 7WF · 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid · ligand · chains A

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
15180.670.7758AMP, ADP
21190.570.8427empty
3930.380.7619empty

Compared structures

  • 5X0G · Free serine kinase (E30A mutant) in complex with ADP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5JD03 · AlphaFold monomer V2.0 prediction for L-serine kinase serk (Q5JD03) · a predicted model of the same protein · chain A against A, TM-score 0.99

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