8G8O
The crystal structure of JAK2 in complex with Compound 31
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Tyrosine-protein kinase JAK2 | polymer | 318 | 37458.5 | 2 | UniProt (O60674) Pfam (PF07714) In PDB | Homo sapiens (human) | Janus kinase 2,JAK-2 |
2 | A, B | [1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}-3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetonitrile | non-polymer | 398.5 | 2 | Chemie (YT0) | |||
3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
4 | B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
5 | water | water | 18.0 | 110 | Chemie (HOH) |
Sequence modifications
A, B: 837 - 1132 (UniProt: O60674)
PDB | External Database | Details |
---|---|---|
Met 815 | - | expression tag |
His 816 | - | expression tag |
His 817 | - | expression tag |
His 818 | - | expression tag |
His 819 | - | expression tag |
His 820 | - | expression tag |
His 821 | - | expression tag |
Thr 822 | - | expression tag |
Ser 823 | - | expression tag |
Leu 824 | - | expression tag |
Tyr 825 | - | expression tag |
Lys 826 | - | expression tag |
Lys 827 | - | expression tag |
Ala 828 | - | expression tag |
Gly 829 | - | expression tag |
Phe 830 | - | expression tag |
Leu 831 | - | expression tag |
Val 832 | - | expression tag |
Pro 833 | - | expression tag |
Arg 834 | - | expression tag |
Gly 835 | - | expression tag |
Ser 836 | - | expression tag |
Ser 1073 | Met 1073 | engineered mutation |
Thr 1076 | Phe 1076 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 74917.1 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 937.3 | |
All* | Total formula weight | 75854.3 |