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JAK2 JH2 in complex with JAK315

Analyse JAK2 JH2 in complex with JAK315 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7T0P
Type: protein
Length: 546 residues
Chains: 2
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: E3W
Pockets: 5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	273	42% helix, 22% strand	O60674

Ligands and binding sites

E3W · 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

5 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	452	0.74	0.83	50	E3W, GOL
2	464	0.74	0.83	50	E3W, GOL
3	811	0.72	0.78	64	empty
4	82	0.39	0.77	16	empty
5	57	0.31	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 444 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

7T0P · JAK2 JH2 in complex with JAK315 · 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 7T0P · PDBe 7T0P · UniProt O60674

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