MolNFT v1 · #136435 · protein

JAK2 JH2 in complex with AT9283

5UT0 · Tyrosine-protein kinase JAK2: “JAK2 JH2 in complex with AT9283”. X-ray diffraction, 1 ligand (35R), 2 pockets (best druggability 0.65). MolNFT v1 #136435 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5UT0
Type: protein
Length: 272 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase JAK2
EC: 2.7.10.2
UniProt: O60674
Ligands: 35R
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	272	44% helix, 21% strand	O60674

Ligands and binding sites

35R · 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea · ligand · chains A
GOL · Glycerol · additive · 2 copies · chains A
ACT · Acetate ion · additive · chains A
DMS · Dimethyl sulfoxide · additive · 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	369	0.65	0.80	39	GOL, 35R
2	58	0.35	0.78	17	empty

Compared structures

5UT0 · JAK2 JH2 in complex with AT9283 · 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 O60674
Elsewhere: RCSB PDB 5UT0 · PDBe 5UT0 · UniProt O60674

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