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MolNFT v1 · #13997 · protein

NMR structure of the itk SH2 domain, PRO287TRANS, energy minimized average structure

1LUN · Tyrosine-protein kinase ITK/TSK: “NMR structure of the itk SH2 domain, PRO287TRANS, energy minimized average structure”. Solution nmr, 2 ligands (ACE, NH2). MolNFT v1 #13997 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1LUN
Type
protein
Length
108 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein kinase ITK/TSK
EC
2.7.1.112
UniProt
Q03526
Ligands
ACE, NH2

Structure

solution nmr · 1 distinct chain · 19% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein kinase ITK/TSK (EC 2.7.1.112)protein10819% helix, 25% strandQ03526

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A
  • NH2 · Amino group · ion · chains A

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 1LUN · NMR Structure of the Itk SH2 domain, Pro287trans, energy minimized average structure · the same entry in another collection · chain A against A, TM-score 1.00
  • Q03526 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ITK/TSK (Q03526) · a predicted model of the same protein · chain A against A, TM-score 0.80

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