PDB-code
| Kinase structure | |
| Kinase: | TEK (TIE2) |
| Family: | Tie |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1842 |
| PDB: | 6MWE |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-11-21 |
| PubMed: | 28838996 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 919 |
 | |
| More entries for 6MWE | |||||
| 6MWE | Alternative model: | A | Chain: | A | |
| 6MWE | Alternative model: | A | Chain: | B | |
| 6MWE | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 67.4° (20.6Å) |
| G-rich loop rotation: | 47.7° |
| Quality Score: | 6.8 |
| Resolution: | 2.05 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 25 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III | Cluster I1 I4 O1 O2 | Ligand No No No Yes | Protein Yes Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | DVIGEGNFGQVLKAAIKRMDFAGELEVLCKLGPNIINLLGAYLAIEYAPHGNLLDFLRKYLSQKQFIHRDLAARNILVIADFGLS |
| Sequence structure: | DVIGEGNFGQVLKAAIKRM___GELEVLCKLGPNIINLLGAYLAIEYAPHGNLLDFLRKYLSQKQFIHRDLAARNILVIADFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1738757 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Tyrosine-protein kinase YES | 8.6 | 8.6 | 8.8 | pIC50 | 2 |
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 D 828 | 2 V 829 | 3 I 830 | 4 G 831 | 5 E 832 | 6 G 833 | 7 N 834 | 8 F 835 | 9 G 836 | 10 Q 837 | 11 V 838 | 12 L 839 | 13 K 840 | 14 A 852 | 15 A 853 | 16 I 854 | 17 K 855 | 18 R 856 | 19 M 857 | 20 _ _ |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 G 871 | 24 E 872 | 25 L 873 | 26 E 874 | 27 V 875 | 28 L 876 | 29 C 877 | 30 K 878 | 31 L 879 | 32 G 880 | 33 P 883 | 34 N 884 | 35 I 885 | 36 I 886 | 37 N 887 | 38 L 888 | 39 L 889 | 40 G 890 |
| •• | • | • | • | • | • | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 891 | 42 Y 899 | 43 L 900 | 44 A 901 | 45 I 902 | 46 E 903 | 47 Y 904 | 48 A 905 | 49 P 906 | 50 H 907 | 51 G 908 | 52 N 909 | 53 L 910 | 54 L 911 | 55 D 912 | 56 F 913 | 57 L 914 | 58 R 915 | 59 K 916 | 60 Y 954 |
| • | • | •• | ••• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 955 | 62 S 956 | 63 Q 957 | 64 K 958 | 65 Q 959 | 66 F 960 | 67 I 961 | 68 H 962 | 69 R 963 | 70 D 964 | 71 L 965 | 72 A 966 | 73 A 967 | 74 R 968 | 75 N 969 | 76 I 970 | 77 L 971 | 78 V 972 | 79 I 980 | 80 A 981 |
| • | • | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 982 | 82 F 983 | 83 G 984 | 84 L 985 | 85 S 986 | |||||||||||||||
| •• | •• | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
