MolNFT v1 · #135242 · protein

Discovery of tak-659, an orally available investigational inhibitor of spleen tyrosine kinase (syk)

5TT7 · Tyrosine-protein kinase syk: “Discovery of tak-659, an orally available investigational inhibitor of spleen tyrosine kinase (syk)”. X-ray diffraction, 1 ligand (7KF), 2 pockets (best druggability 0.57). MolNFT v1 #135242 on…

PDB: 5TT7
Type: protein
Length: 274 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase syk
EC: 2.7.10.2
UniProt: P43405
Ligands: 7KF
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase syk (EC 2.7.10.2)	protein	274	42% helix, 19% strand	P43405

Ligands and binding sites

7KF · 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	262	0.57	0.77	29	7KF
2	75	0.32	0.74	20	empty

Compared structures

5TT7 · Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine… · the same entry in another collection · chain A against A, TM-score 1.00

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 P43405
Elsewhere: RCSB PDB 5TT7 · PDBe 5TT7 · UniProt P43405

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