PDB-code
| Kinase structure | |
| Kinase: | ERBB2 (ErbB2) |
| Family: | EGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2019 |
| PDB: | 8U8X |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-06-12 |
| PubMed: | 38820338 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | W9N |
 | |
| More entries for 8U8X | |||||
| 8U8X | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 44.6° (13.5Å) |
| G-rich loop rotation: | 60.9° |
| Quality Score: | 6.8 |
| Resolution: | 1.69 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-B | Cluster I1 | Ligand Yes | Protein No |
| Pocket alignment | |
| Uniprot sequence: | KVLGSGAFGTVYKVAIKVLEILDEAYVMAGVGPYVSRLLGIQLVTQLMPYGCLLDHVREYLEDVRLVHRDLAARNVLVITDFGLA |
| Sequence structure: | KVLGSGAFGTVYKVAIKVLE__DEAYVMAYVMPYVSRLLGIQLVTQLMPYGCLLDHVREYLEDVRLVHRDLAARNVLVITDFGLA |
| 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 K 724 | 2 V 725 | 3 L 726 | 4 G 727 | 5 S 728 | 6 G 729 | 7 A 730 | 8 F 731 | 9 G 732 | 10 T 733 | 11 V 734 | 12 Y 735 | 13 K 736 | 14 V 750 | 15 A 751 | 16 I 752 | 17 K 753 | 18 V 754 | 19 L 755 | 20 E 766 |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 D 769 | 24 E 770 | 25 A 771 | 26 Y 772 | 27 V 773 | 28 M 774 | 29 A 775 | 30 Y 776 | 31 V 777 | 32 M 778 | 33 P 784 | 34 Y 785 | 35 V 786 | 36 S 787 | 37 R 788 | 38 L 789 | 39 L 790 | 40 G 791 |
| •• | • | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 792 | 42 Q 799 | 43 L 800 | 44 V 801 | 45 T 802 | 46 Q 803 | 47 L 804 | 48 M 805 | 49 P 806 | 50 Y 807 | 51 G 808 | 52 C 809 | 53 L 810 | 54 L 811 | 55 D 812 | 56 H 813 | 57 V 814 | 58 R 815 | 59 E 816 | 60 Y 839 |
| • | • | • | • | •• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 840 | 62 E 841 | 63 D 842 | 64 V 843 | 65 R 844 | 66 L 845 | 67 V 846 | 68 H 847 | 69 R 848 | 70 D 849 | 71 L 850 | 72 A 851 | 73 A 852 | 74 R 853 | 75 N 854 | 76 V 855 | 77 L 856 | 78 V 857 | 79 I 865 | 80 T 866 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 867 | 82 F 868 | 83 G 869 | 84 L 870 | 85 A 871 | |||||||||||||||
| • | •• | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
