MolNFT v1 · #135260 · protein

JAK3 with covalent inhibitor 6

5TTV · Tyrosine-protein kinase JAK3: “JAK3 with covalent inhibitor 6”. X-ray diffraction, 1 ligand (7KX), 4 pockets (best druggability 0.73). MolNFT v1 #135260 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5TTV
Type: protein
Length: 280 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase JAK3
EC: 2.7.10.2
UniProt: P52333
Ligands: 7KX
Pockets: 4 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK3 (EC 2.7.10.2)	protein	280	42% helix, 20% strand	P52333

Ligands and binding sites

7KX · N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide · ligand · chains A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	65	0.73	0.98	18	empty
2	248	0.67	0.84	34	7KX
3	152	0.55	0.81	26	empty
4	62	0.33	0.77	17	empty

Modifications

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

Compared structures

5TTV · Jak3 with covalent inhibitor 6 · the same entry in another collection · chain A against A, TM-score 1.00
P52333 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase JAK3 (P52333) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P52333
Elsewhere: RCSB PDB 5TTV · PDBe 5TTV · UniProt P52333

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