PDB-code
| More entries for 8SC8 | |||||
| 8SC8 | Alternative model: | B | Chain: | A | |
| 8SC8 | Alternative model: | C | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 59.2° (18.3Å) |
| G-rich loop rotation: | 84.3° |
| Quality Score: | 7.6 |
| Resolution: | 2.687 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | CKVMASKKKPLWLIIFKHGDLRQDMLILQILRLCLLPYGCIIGMIEIVKATTIAKIQQSATFV--LGIGDRHNDNIMIHIDFGHI |
| Sequence structure: | CKVMASKKKPLWLIIFKHGDLRQDMLILQILRLCLLPYGCIIGMIEIVKATTIAKIQQSATFV__LGIGDRHNDNIMIHIDFGHI |
| 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 C 801 | 2 K 802 | 3 V 803 | 4 M 804 | 5 A 805 | 6 S 806 | 7 K 807 | 8 K 808 | 9 K 809 | 10 P 810 | 11 L 811 | 12 W 812 | 13 L 813 | 14 I 830 | 15 I 831 | 16 F 832 | 17 K 833 | 18 H 834 | 19 G 835 | 20 D 837 |
| • | • | •• | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 838 | 22 R 839 | 23 Q 840 | 24 D 841 | 25 M 842 | 26 L 843 | 27 I 844 | 28 L 845 | 29 Q 846 | 30 I 847 | 31 L 848 | 32 R 849 | 33 L 862 | 34 C 863 | 35 L 864 | 36 L 865 | 37 P 866 | 38 Y 867 | 39 G 868 | 40 C 869 |
| • | •• | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 870 | 42 I 876 | 43 G 877 | 44 M 878 | 45 I 879 | 46 E 880 | 47 I 881 | 48 V 882 | 49 K 883 | 50 A 885 | 51 T 886 | 52 T 887 | 53 I 888 | 54 A 889 | 55 K 890 | 56 I 891 | 57 Q 892 | 58 Q 893 | 59 S 894 | 60 A 938 |
| • | • | • | •• | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 T 939 | 62 F 940 | 63 V 941 | 64 _ _ | 65 _ _ | 66 L 942 | 67 G 943 | 68 I 944 | 69 G 945 | 70 D 946 | 71 R 947 | 72 H 948 | 73 N 949 | 74 D 950 | 75 N 951 | 76 I 952 | 77 M 953 | 78 I 954 | 79 H 962 | 80 I 963 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 964 | 82 F 965 | 83 G 966 | 84 H 967 | 85 I 968 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
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