8BA3
Crystal structure of JAK2 JH2 in complex with Bemcentinib
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Tyrosine-protein kinase JAK2 | polymer | 289 | 33121.0 | 1 | UniProt (O60674) Pfam (PF07714) In PDB | Homo sapiens (human) | Janus kinase 2,JAK-2 |
2 | A | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine | non-polymer | 506.6 | 1 | Chemie (Q8U) | |||
3 | A | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
4 | water | water | 18.0 | 257 | Chemie (HOH) |
Sequence modifications
A: 536 - 812 (UniProt: O60674)
PDB | External Database | Details |
---|---|---|
Ala 659 | Trp 659 | engineered mutation |
Ala 777 | Trp 777 | engineered mutation |
His 794 | Phe 794 | engineered mutation |
Leu 813 | - | expression tag |
Val 814 | - | expression tag |
Pro 815 | - | expression tag |
Arg 816 | - | expression tag |
Gly 817 | - | expression tag |
Ser 818 | - | expression tag |
His 819 | - | expression tag |
His 820 | - | expression tag |
His 821 | - | expression tag |
His 822 | - | expression tag |
His 823 | - | expression tag |
His 824 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 33121.0 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 967.1 | |
All* | Total formula weight | 34088.1 |