PDB-code
| Kinase structure | |
| Kinase: | Tyk2 (TYK2) |
| Family: | JakA |
| Group: | TK |
| Species: | MOUSE |
| PDB: | 4E1Z |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-10-03 |
| PubMed: | 22995073 |
| Chain: | A |
| Orthosteric ligand: | 0MX |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 45.8° (14.4Å) |
| G-rich loop rotation: | 55.9° |
| Quality Score: | 8 |
| Resolution: | 2.5 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I FP-II | Cluster I1 I4 I5 | Ligand No No No | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RDLGEGHFGKVSLVAVKALGWQREIEILRTLYEHIVKYKGCQLVMEYVPLGSLRDYLPRYLHAQHYIHRDLAARNVLLIGDFGLA |
| Sequence structure: | RDLGEGHFGKVSLVAVKALGWQREIEILRTLYEHIVKYKGCQLVMEYVPLGSLRDYLPRYLHAQHYIHRALAARNVLLIGDFGLA |
| 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 R 897 | 2 D 898 | 3 L 899 | 4 G 900 | 5 E 901 | 6 G 902 | 7 H 903 | 8 F 904 | 9 G 905 | 10 K 906 | 11 V 907 | 12 S 908 | 13 L 909 | 14 V 923 | 15 A 924 | 16 V 925 | 17 K 926 | 18 A 927 | 19 L 928 | 20 G 939 |
| • | • | • | •• | • | • | • | • | • | • | ||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 W 940 | 22 Q 941 | 23 R 942 | 24 E 943 | 25 I 944 | 26 E 945 | 27 I 946 | 28 L 947 | 29 R 948 | 30 T 949 | 31 L 950 | 32 Y 951 | 33 E 953 | 34 H 954 | 35 I 955 | 36 V 956 | 37 K 957 | 38 Y 958 | 39 K 959 | 40 G 960 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 961 | 42 Q 971 | 43 L 972 | 44 V 973 | 45 M 974 | 46 E 975 | 47 Y 976 | 48 V 977 | 49 P 978 | 50 L 979 | 51 G 980 | 52 S 981 | 53 L 982 | 54 R 983 | 55 D 984 | 56 Y 985 | 57 L 986 | 58 P 987 | 59 R 988 | 60 Y 1009 |
| • | • | •• | ••• | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1010 | 62 H 1011 | 63 A 1012 | 64 Q 1013 | 65 H 1014 | 66 Y 1015 | 67 I 1016 | 68 H 1017 | 69 R 1018 | 70 A 1019 | 71 L 1020 | 72 A 1021 | 73 A 1022 | 74 R 1023 | 75 N 1024 | 76 V 1025 | 77 L 1026 | 78 L 1027 | 79 I 1035 | 80 G 1036 |
| ••• | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1037 | 82 F 1038 | 83 G 1039 | 84 L 1040 | 85 A 1041 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
