PDB-code
| Kinase structure | |
| Kinase: | JAK3 |
| Family: | JakA |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2049 |
| PDB: | 6DUD |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-11-28 |
| PubMed: | 30423248 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | HB4 |
 | |
| More entries for 6DUD | |||||
| 6DUD | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.5° (16.2Å) |
| G-rich loop rotation: | 50.7° |
| Quality Score: | 9.7 |
| Resolution: | 1.66 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 3 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I3 I4 I5 I7 I10 I11 | Ligand No No No No Yes No No | Protein Yes No Yes Yes Yes Yes No | |
| Pocket alignment | |
| Uniprot sequence: | SQLGKGNFGSVELVAVKQLDFQREIQILKALHDFIVKYRGVRLVMEYLPSGCLRDFLQRYLGSRRCVHRDLAARNILVIADFGLA |
| Sequence structure: | SQLGKGNFGSVELVAVKQLDFQREIQILKALHDFIVKYRGVRLVMEYLPSGCLRDFLQRYLGSRRCVHRDLAARNILVIADFGLA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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:
