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MolNFT v1 · #127499 · protein

Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide PS910

5MYC · 14-3-3 protein sigma: “Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide PS910”. X-ray diffraction, 3 ligands (CA, NA, CL). MolNFT v1 #127499 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5MYC
Type
protein
Length
248 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
14-3-3 protein sigma; Leucine-rich repeat SERINE/THREONINE-protein kinase 2
EC
2.7.11.1
UniProt
P31947, Q5S007
Ligands
CA, NA, CL

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A14-3-3 protein sigmaprotein23680% helix, 0% strandP31947
PLeucine-rich repeat SERINE/THREONINE-protein kinase 2 (EC 2.7.11.1)protein1242% helix, 0% strandQ5S007

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · chains A

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

Interfaces

1 interface between chains.

  • A–P · 990 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 5MYC · Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910 · the same entry in another collection · chain A against A, TM-score 1.00
  • P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • Q5S007 · AlphaFold monomer V2.0 prediction for leucine-rich repeat SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain P against A, TM-score 0.50

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