PDB-code
| Kinase structure | |
| Kinase: | RET |
| Family: | Ret |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2185 |
| PDB: | 5AMN |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-02-17 |
| PubMed: | 26874741 |
| Chain: | A |
| Orthosteric ligand: | DTQ |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.4° (17.3Å) |
| G-rich loop rotation: | 49.5° |
| Quality Score: | 8.4 |
| Resolution: | 2.57 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 16 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-B | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | KTLGEGEFGKVVKVAVKMLDLLSEFNVLKQVNPHVIKLYGALLIVEYAKYGSLRGFLREYLAEMKLVHRDLAARNILVISDFGLS |
| Sequence structure: | KTLGEGEFGKVVKVAVKMLDLLSEFNVLKQVNPHVIKLYGALLIVEYAKYGSLRGFLREYLAEMKLVHRDLAARNILVISDFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL127907 |
| Bioaffinities: | 11 records for 6 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 2 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 2 | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 8.4 | 8.4 | 8.4 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 7.3 | 6.1 | 7.3 | pIC50 | 5 |
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:
