PDB-code
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 47.8° (14.8Å) |
| G-rich loop rotation: | 47° |
| Quality Score: | 8 |
| Resolution: | 2.5 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 26 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-A BP-I-B | Cluster I1 I5 I10 | Ligand Yes No No | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | KTLGEGEFGKVVKVAVKMLDLLSEFNVLKQVNPHVIKLYGALLIVEYAKYGSLRGFLREYLAEMKLVHRDLAARNILVISDFGLS |
| Sequence structure: | KTLGEGEFGKVVKVAVKMLDLLSEFNVLKQVNPHVIKLYGALLIVEYAKYGSLRGFLREYLAEMKLVHRDLAARNILVISDFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL24828 |
| Bioaffinities: | 413 records for 111 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Activin receptor type-1 | 6.8 | 6.8 | 6.8 | pKd | 2 |
| Homo sapiens | Activin receptor type-1 | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | ALK tyrosine kinase receptor | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | ALK tyrosine kinase receptor | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | AMP-activated protein kinase, alpha-1 subunit | 5 | 5 | 5.5 | pKd | 2 |
| Homo sapiens | Bone morphogenetic protein receptor type-1B | 6.6 | 6.6 | 6.6 | pKd | 1 |
| Homo sapiens | Casein kinase I epsilon | 5.5 | 5.5 | 5.8 | pKd | 3 |
| Homo sapiens | Chaperone activity of bc1 complex-like, mitochondrial | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Citron Rho-interacting kinase | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Cyclin-dependent kinase 7 | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Discoidin domain-containing receptor 2 | 6.5 | 6.5 | 6.5 | pKd | 2 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 2 | 6 | 6 | 6 | pKd | 2 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 2 | 5.8 | 5.8 | 5.8 | pKi | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 5 | 7.3 | 7.3 | 7.3 | pKd | 1 |
| Homo sapiens | Dual specificity testis-specific protein kinase 1 | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 1 | 6.6 | 6.6 | 6.6 | pKd | 2 |
| Homo sapiens | Ephrin type-A receptor 2 | 6 | 5.7 | 6 | pKd | 3 |
| Homo sapiens | Ephrin type-A receptor 3 | 5.7 | 5.7 | 5.8 | pKd | 3 |
| Homo sapiens | Ephrin type-A receptor 4 | 5.8 | 5.4 | 5.8 | pKd | 3 |
| Homo sapiens | Ephrin type-A receptor 5 | 6.6 | 6.5 | 6.6 | pKd | 3 |
| Homo sapiens | Ephrin type-A receptor 6 | 7.3 | 7.2 | 7.3 | pKd | 3 |
| Homo sapiens | Ephrin type-A receptor 7 | 5.6 | 5.5 | 5.6 | pKd | 3 |
| Homo sapiens | Ephrin type-A receptor 8 | 7 | 6.8 | 7 | pKd | 3 |
| Homo sapiens | Ephrin type-B receptor 1 | 6.5 | 6.3 | 6.5 | pKd | 3 |
| Homo sapiens | Ephrin type-B receptor 2 | 6.4 | 6.4 | 6.4 | pKd | 2 |
| Homo sapiens | Ephrin type-B receptor 4 | 6.3 | 5.6 | 6.3 | pKd | 3 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 6.7 | 6.1 | 8 | pIC50 | 11 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 8 | 6.6 | 8.3 | pKd | 23 |
| Homo sapiens | Epithelial discoidin domain-containing receptor 1 | 8 | 8 | 8 | pKd | 2 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 5.4 | 5.2 | 5.6 | pIC50 | 3 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 6.3 | 5.3 | 6.3 | pKd | 3 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Fibroblast growth factor receptor 2 | 6 | 5.3 | 6 | pKd | 3 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 5.8 | 5.2 | 6.6 | pKd | 5 |
| Homo sapiens | Fibroblast growth factor receptor 4 | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Hepatocyte growth factor receptor | 5.2 | 5.2 | 5.4 | pKd | 3 |
| Homo sapiens | Hormonally up-regulated neu tumor-associated kinase | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 5.9 | 5.9 | 5.9 | pKd | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 4 | 7.1 | 7.1 | 7.1 | pKd | 1 |
| Homo sapiens | Leucine-rich repeat serine/threonine-protein kinase 2 | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Leukocyte tyrosine kinase receptor | 6.3 | 6.3 | 6.3 | pKd | 2 |
| Homo sapiens | Leukocyte tyrosine kinase receptor | 6.4 | 6.4 | 6.4 | pKi | 1 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 5.8 | 5.8 | 5.8 | pIC50 | 1 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | Macrophage-stimulating protein receptor | 5.5 | 5.5 | 5.5 | pIC50 | 1 |
| Homo sapiens | MAP kinase-interacting serine/threonine-protein kinase MNK1 | 6.4 | 6.4 | 6.4 | pKd | 2 |
| Homo sapiens | MAP kinase p38 alpha | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | MAP kinase signal-integrating kinase 2 | 5.8 | 5.5 | 5.8 | pKd | 3 |
| Homo sapiens | Misshapen-like kinase 1 | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase 6 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 4 | 5.3 | 5.3 | 5.5 | pKd | 2 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 1 | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 2 | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 3 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 6.4 | 6.3 | 6.4 | pKd | 3 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Mixed lineage kinase 7 | 5.3 | 5.3 | 5.3 | pKd | 2 |
| Homo sapiens | Phosphorylase kinase gamma subunit 1 | 6 | 5.2 | 6 | pKd | 3 |
| Homo sapiens | Phosphorylase kinase gamma subunit 2 | 5 | 5 | 5.1 | pKd | 2 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 6.6 | 6.6 | 6.6 | pKd | 2 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 6 | 6 | 6.3 | pIC50 | 2 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 7.1 | 6.6 | 7.1 | pKd | 3 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase MER | 5.9 | 5.9 | 5.9 | pKd | 3 |
| Homo sapiens | Receptor-interacting serine/threonine-protein kinase 4 | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 6.3 | 6.3 | 6.3 | pKd | 1 |
| Homo sapiens | Receptor tyrosine-protein kinase erbB-3 | 6.8 | 6.8 | 6.8 | pKd | 1 |
| Homo sapiens | Rho-associated protein kinase 2 | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Rho-associated protein kinase 2 | 7 | 7 | 7 | pKi | 1 |
| Homo sapiens | Ribosomal protein S6 kinase 1 | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 1 | 6.4 | 6.4 | 6.4 | pKd | 4 |
| Homo sapiens | Ribosomal protein S6 kinase alpha 6 | 6.6 | 6.6 | 6.6 | pKd | 4 |
| Homo sapiens | Serine/threonine-protein kinase 10 | 7.1 | 5.6 | 7.1 | pKd | 4 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 7 | 7 | 7 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase 32A | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 33 | 5.9 | 5.9 | 5.9 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase 35 | 7.3 | 7.3 | 7.3 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 5.6 | 5.6 | 5.6 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase GAK | 7.1 | 6.5 | 7.1 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase MRCK-A | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase MRCK beta | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase MRCK gamma | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 6.2 | 5.8 | 6.2 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase receptor R3 | 6.3 | 6.3 | 6.3 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 8.3 | 7.5 | 8.3 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase SIK1 | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase SIK2 | 6.4 | 6.4 | 6.4 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase SIK3 | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase TNNI3K | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase ULK3 | 5.2 | 5.2 | 5.2 | pKd | 1 |
| Homo sapiens | SPS1/STE20-related protein kinase YSK4 | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | Stem cell growth factor receptor | 6.5 | 6.5 | 6.5 | pIC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 6.5 | 5.7 | 7.5 | pKd | 16 |
| Homo sapiens | TRAF2- and NCK-interacting kinase | 5.6 | 5.4 | 5.6 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.8 | 6.8 | 7.1 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase ABL | 7.1 | 6.1 | 8.1 | pKd | 29 |
| Homo sapiens | Tyrosine-protein kinase ABL | 7.5 | 7.5 | 7.5 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL2 | 7.2 | 6.9 | 7.2 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase BLK | 7.2 | 7.2 | 7.2 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase BRK | 6.8 | 6.8 | 7.5 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase BTK | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase BTK | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase CSK | 5.6 | 5.4 | 5.6 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase FGR | 6.6 | 5.7 | 6.6 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase FRK | 6.8 | 6.3 | 6.8 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase FYN | 6.4 | 5.2 | 6.4 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase FYN | 6.2 | 6.2 | 6.2 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase HCK | 6.4 | 5.4 | 6.4 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase LCK | 7.8 | 7.2 | 7.8 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase LCK | 7.4 | 7.4 | 7.4 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 7 | 6.2 | 7 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 6.1 | 5.8 | 6.7 | pKd | 13 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7 | 6 | 7.3 | pIC50 | 5 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7.5 | 7.5 | 7.9 | pKd | 4 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7.7 | 7.7 | 7.7 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor Tie-1 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 7 | 7 | 7 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 7.2 | 7.2 | 7.2 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 6.6 | 6.6 | 6.6 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 6.6 | 6.6 | 6.6 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 6.7 | 6.7 | 7.4 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase SRC | 7.2 | 6.8 | 7.2 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase Srms | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase TIE-2 | 5.6 | 5.6 | 6.3 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase TIE-2 | 6 | 5.4 | 6 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase TXK | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase YES | 6.9 | 6.6 | 6.9 | pKd | 3 |
| Homo sapiens | Uncharacterized aarF domain-containing protein kinase 4 | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7 | 5.8 | 7.7 | pIC50 | 8 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 6.6 | 6.6 | 6.6 | pKd | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7.2 | 7.2 | 7.2 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.4 | 5.2 | 8.1 | pIC50 | 35 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.1 | 6.1 | 6.3 | pKd | 3 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 8.2 | 8.2 | 8.2 | pKi | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 6.6 | 6.6 | 6.6 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 6 | 6 | 6.5 | pKd | 3 |
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 K 728 | 2 T 729 | 3 L 730 | 4 G 731 | 5 E 732 | 6 G 733 | 7 E 734 | 8 F 735 | 9 G 736 | 10 K 737 | 11 V 738 | 12 V 739 | 13 K 740 | 14 V 755 | 15 A 756 | 16 V 757 | 17 K 758 | 18 M 759 | 19 L 760 | 20 D 771 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 772 | 22 L 773 | 23 S 774 | 24 E 775 | 25 F 776 | 26 N 777 | 27 V 778 | 28 L 779 | 29 K 780 | 30 Q 781 | 31 V 782 | 32 N 783 | 33 P 785 | 34 H 786 | 35 V 787 | 36 I 788 | 37 K 789 | 38 L 790 | 39 Y 791 | 40 G 792 |
| • | • | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 793 | 42 L 801 | 43 L 802 | 44 I 803 | 45 V 804 | 46 E 805 | 47 Y 806 | 48 A 807 | 49 K 808 | 50 Y 809 | 51 G 810 | 52 S 811 | 53 L 812 | 54 R 813 | 55 G 814 | 56 F 815 | 57 L 816 | 58 R 817 | 59 E 818 | 60 Y 864 |
| • | • | • | •• | •• | • | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 865 | 62 A 866 | 63 E 867 | 64 M 868 | 65 K 869 | 66 L 870 | 67 V 871 | 68 H 872 | 69 R 873 | 70 D 874 | 71 L 875 | 72 A 876 | 73 A 877 | 74 R 878 | 75 N 879 | 76 I 880 | 77 L 881 | 78 V 882 | 79 I 890 | 80 S 891 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 892 | 82 F 893 | 83 G 894 | 84 L 895 | 85 S 896 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





