MolNFT v1 · #92667 · protein

Crystal structure of spleen tyrosine kinase complexed with R9021

4GFG · Tyrosine-protein kinase syk: “Crystal structure of spleen tyrosine kinase complexed with R9021”. X-ray diffraction, 1 ligand (0XF), 1 pocket (best druggability 0.66). MolNFT v1 #92667 on GenesisL1: 3D structure, binding sites and…

PDB: 4GFG
Type: protein
Length: 277 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: 0XF
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase syk (EC 2.7.10.2)	protein	277	40% helix, 22% strand	P43405

Ligands and binding sites

0XF · 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	437	0.66	0.78	42	0XF

Compared structures

4GFG · Crystal structure of spleen tyrosine kinase complexed with r9021 · the same entry in another collection · chain A against A, TM-score 1.00
P43405 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase syk (P43405) · a predicted model of the same protein · chain A against A, TM-score 0.90

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 4GFG · PDBe 4GFG · UniProt P43405

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