PDB-code
| Kinase structure | |
| Kinase: | TYK2 |
| Family: | JakA |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2269 |
| PDB: | 7UYU |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-08-24 |
| PubMed: | 35842205 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | OV0 |
 | |
| More entries for 7UYU | |||||
| 7UYU | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 47.8° (14.5Å) |
| G-rich loop rotation: | 66.5° |
| Quality Score: | 8 |
| Resolution: | 2.05 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 31 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I1 I5 I9 I10 I11 | Ligand No Yes No No Yes | Protein Yes Yes Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | RDLGEGHFGKVSLVAVKALGWKQEIDILRTLYEHIIKYKGCQLVMEYVPLGSLRDYLPRYLHAQHYIHRDLAARNVLLIGDFGLA |
| Sequence structure: | RDLGEGHFGKVSLVAVKALGWKQEIDILRTLYEHIIKYKGCQLVMEYVPLGSLRDYLPRYLHAQHYIHRDLAARNVLLIGDFGLA |
| 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 901 | 2 D 902 | 3 L 903 | 4 G 904 | 5 E 905 | 6 G 906 | 7 H 907 | 8 F 908 | 9 G 909 | 10 K 910 | 11 V 911 | 12 S 912 | 13 L 913 | 14 V 927 | 15 A 928 | 16 V 929 | 17 K 930 | 18 A 931 | 19 L 932 | 20 G 943 |
| •• | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 W 944 | 22 K 945 | 23 Q 946 | 24 E 947 | 25 I 948 | 26 D 949 | 27 I 950 | 28 L 951 | 29 R 952 | 30 T 953 | 31 L 954 | 32 Y 955 | 33 E 957 | 34 H 958 | 35 I 959 | 36 I 960 | 37 K 961 | 38 Y 962 | 39 K 963 | 40 G 964 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 965 | 42 Q 975 | 43 L 976 | 44 V 977 | 45 M 978 | 46 E 979 | 47 Y 980 | 48 V 981 | 49 P 982 | 50 L 983 | 51 G 984 | 52 S 985 | 53 L 986 | 54 R 987 | 55 D 988 | 56 Y 989 | 57 L 990 | 58 P 991 | 59 R 992 | 60 Y 1013 |
| • | • | •• | • | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1014 | 62 H 1015 | 63 A 1016 | 64 Q 1017 | 65 H 1018 | 66 Y 1019 | 67 I 1020 | 68 H 1021 | 69 R 1022 | 70 D 1023 | 71 L 1024 | 72 A 1025 | 73 A 1026 | 74 R 1027 | 75 N 1028 | 76 V 1029 | 77 L 1030 | 78 L 1031 | 79 I 1039 | 80 G 1040 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1041 | 82 F 1042 | 83 G 1043 | 84 L 1044 | 85 A 1045 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
