MolNFT v1 · #144415 · protein

JAK2 JH2 in complex with NU6102

6BSS · Tyrosine-protein kinase JAK2: “JAK2 JH2 in complex with NU6102”. X-ray diffraction, 1 ligand (4SP), 1 pocket (best druggability 0.66). MolNFT v1 #144415 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6BSS
Type: protein
Length: 271 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: 4SP
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	271	43% helix, 21% strand	O60674

Ligands and binding sites

4SP · O6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine · ligand · chains A
GOL · Glycerol · additive · 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	402	0.66	0.79	36	GOL, 4SP

Compared structures

6BSS · JAK2 JH2 in complex with NU6102 · 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 6BSS · PDBe 6BSS · UniProt O60674

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