MolNFT v1 · #78456 · protein

Crystal structure of the itk SH2 domain.

3S9K · Tyrosine-protein kinase ITK/TSK: “Crystal structure of the itk SH2 domain.”. X-ray diffraction, 1 pocket (best druggability 0.37). MolNFT v1 #78456 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3S9K
Type: protein
Length: 114 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase ITK/TSK
EC: 2.7.10.2
UniProt: Q03526
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase ITK/TSK (EC 2.7.10.2)	protein	114	21% helix, 23% strand	Q03526

Ligands and binding sites

CIT · Citric acid · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	111	0.37	0.75	19	CIT

Compared structures

3S9K · Crystal structure of the Itk SH2 domain. · 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 0.62

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q03526
Elsewhere: RCSB PDB 3S9K · PDBe 3S9K · UniProt Q03526

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