PDB-code
| Kinase structure | |
| Kinase: | JAK3 |
| Family: | JakA |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2049 |
| PDB: | 3LXL |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-06-02 |
| PubMed: | 20478313 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | IZA |
 | |
| More entries for 3LXL | |||||
| 3LXL | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 47.8° (14.8Å) |
| G-rich loop rotation: | 53.1° |
| Quality Score: | 9.9 |
| Resolution: | 1.74 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 1 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I4 I5 | Ligand No No Yes | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | SQLGKGNFGSVELVAVKQLDFQREIQILKALHDFIVKYRGVRLVMEYLPSGCLRDFLQRYLGSRRCVHRDLAARNILVIADFGLA |
| Sequence structure: | SQLGKGNFGSVELVAVKQLDFQREIQILKALHDFIVKYRGVRLVMEYLPSGCLRDFLQRYLGSRRCVHRDLAARNILVIADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL21156 |
| Bioaffinities: | 86 records for 45 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | ALK tyrosine kinase receptor | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | AMP-activated protein kinase, alpha-1 subunit | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | cAMP-dependent protein kinase alpha-catalytic subunit | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | c-Jun N-terminal kinase 1 | 7.8 | 7.8 | 7.8 | pKi | 1 |
| Homo sapiens | c-Jun N-terminal kinase 2 | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | Cyclin-dependent kinase 2 | 5.5 | 5.5 | 5.5 | pIC50 | 1 |
| Homo sapiens | Death-associated protein kinase 3 | 9 | 9 | 9 | pKi | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | 7 | 7 | 7 | pKi | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 2 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Dual specificity protein kinase CLK4 | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | Fibroblast growth factor receptor 2 | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Focal adhesion kinase 1 | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | G protein-coupled receptor kinase 5 | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Inhibitor of nuclear factor kappa B kinase beta subunit | 6.5 | 6.5 | 6.5 | pIC50 | 1 |
| Homo sapiens | Inhibitor of nuclear factor kappa B kinase epsilon subunit | 7 | 7 | 7 | pKi | 1 |
| Homo sapiens | Leucine-rich repeat serine/threonine-protein kinase 2 | 7.6 | 7.6 | 7.6 | pKi | 1 |
| Homo sapiens | Leukocyte tyrosine kinase receptor | 7.6 | 7.6 | 7.6 | pKi | 1 |
| Homo sapiens | Macrophage-stimulating protein receptor | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | Maternal embryonic leucine zipper kinase | 6.5 | 6.5 | 6.5 | pIC50 | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 2 | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | NT-3 growth factor receptor | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Protein kinase C alpha | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | Protein kinase C nu | 7.1 | 7.1 | 7.1 | pKi | 1 |
| Homo sapiens | Protein kinase C theta | 6.1 | 6.1 | 6.1 | pKi | 1 |
| Homo sapiens | Rho-associated protein kinase 1 | 6.3 | 6.3 | 6.3 | pKi | 1 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 3 | 6.4 | 6.4 | 6.4 | pKi | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 7.3 | 7.3 | 7.3 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Chk1 | 5.5 | 5.5 | 5.5 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase TBK1 | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Tyrosine kinase non-receptor protein 2 | 6.9 | 6.9 | 6.9 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase CSK | 5.7 | 5.7 | 5.7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 6.3 | 6.3 | 6.3 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase HCK | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase JAK1 | 7.8 | 6.2 | 8.4 | pIC50 | 6 |
| Mus musculus | Tyrosine-protein kinase JAK1 | 7.8 | 7.8 | 7.8 | pIC50 | 4 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 9 | 5.9 | 9 | pIC50 | 10 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 8.6 | 8.6 | 8.6 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 8.3 | 6.1 | 8.3 | pIC50 | 10 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 7.4 | 7.4 | 7.4 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase TIE-2 | 4.6 | 4.6 | 4.6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase TYK2 | 9 | 5.8 | 9 | pIC50 | 10 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 5.8 | 5.8 | 5.8 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 S 826 | 2 Q 827 | 3 L 828 | 4 G 829 | 5 K 830 | 6 G 831 | 7 N 832 | 8 F 833 | 9 G 834 | 10 S 835 | 11 V 836 | 12 E 837 | 13 L 838 | 14 V 852 | 15 A 853 | 16 V 854 | 17 K 855 | 18 Q 856 | 19 L 857 | 20 D 867 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 868 | 22 Q 869 | 23 R 870 | 24 E 871 | 25 I 872 | 26 Q 873 | 27 I 874 | 28 L 875 | 29 K 876 | 30 A 877 | 31 L 878 | 32 H 879 | 33 D 881 | 34 F 882 | 35 I 883 | 36 V 884 | 37 K 885 | 38 Y 886 | 39 R 887 | 40 G 888 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 889 | 42 R 899 | 43 L 900 | 44 V 901 | 45 M 902 | 46 E 903 | 47 Y 904 | 48 L 905 | 49 P 906 | 50 S 907 | 51 G 908 | 52 C 909 | 53 L 910 | 54 R 911 | 55 D 912 | 56 F 913 | 57 L 914 | 58 Q 915 | 59 R 916 | 60 Y 939 |
| • | • | • | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 940 | 62 G 941 | 63 S 942 | 64 R 943 | 65 R 944 | 66 C 945 | 67 V 946 | 68 H 947 | 69 R 948 | 70 D 949 | 71 L 950 | 72 A 951 | 73 A 952 | 74 R 953 | 75 N 954 | 76 I 955 | 77 L 956 | 78 V 957 | 79 I 965 | 80 A 966 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 967 | 82 F 968 | 83 G 969 | 84 L 970 | 85 A 971 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
