MolNFT v1 · #109894 · protein

Crystal structure of an inhibitor-bound syk

4XG7 · Tyrosine-protein kinase syk: “Crystal structure of an inhibitor-bound syk”. X-ray diffraction, 1 ligand (X7G), 2 pockets (best druggability 0.51). MolNFT v1 #109894 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4XG7
Type: protein
Length: 266 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: X7G
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase syk (EC 2.7.10.2)	protein	266	40% helix, 21% strand	P43405

Ligands and binding sites

X7G · 1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol · 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	146	0.51	0.79	22	X7G
2	56	0.27	0.73	14	empty

Compared structures

4XG7 · Crystal structure of an inhibitor-bound Syk · 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 4XG7 · PDBe 4XG7 · UniProt P43405

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