PDB-code
| Kinase structure | |
| Kinase: | EGFR |
| Family: | EGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1797 |
| PDB: | 5XDL |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-12-13 |
| PubMed: | 28881827 |
| Chain: | A |
| Orthosteric ligand: | 8JC |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 66.4° (20.3Å) |
| G-rich loop rotation: | 31.3° |
| Quality Score: | 8.7 |
| Resolution: | 2.7 Å |
| Missing Residues: | 1 |
| Missing Atoms: | 9 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | KVLGSGAFGTVYKVAIKELEILDEAYVMASVDPHVCRLLGIQLITQLMPFGCLLDYVREYLEDRRLVHRDLAARNVLVITDFGLA |
| Sequence structure: | KVLGSGAFGTVYKVAIKE_EILDEAYVMASVDPHVCRLLGIQLITQLMPFGCLLDYVREYLEDRRLVHRDLAARNVLVITDFGRA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3545308 |
| Bioaffinities: | 34 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.8 | 5.8 | 6.9 | pEC50 | 2 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 7.8 | 5.8 | 8.8 | pIC50 | 25 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 6.8 | 6.8 | 6.8 | pKd | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 7.7 | 6.5 | 8.8 | pKi | 5 |
| Homo sapiens | Receptor tyrosine-protein kinase erbB-3 | 7.3 | 7.3 | 7.3 | pIC50 | 1 |
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 716 | 2 V 717 | 3 L 718 | 4 G 719 | 5 S 720 | 6 G 721 | 7 A 722 | 8 F 723 | 9 G 724 | 10 T 725 | 11 V 726 | 12 Y 727 | 13 K 728 | 14 V 742 | 15 A 743 | 16 I 744 | 17 K 745 | 18 E 746 | 19 _ _ | 20 E 758 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 759 | 22 L 760 | 23 D 761 | 24 E 762 | 25 A 763 | 26 Y 764 | 27 V 765 | 28 M 766 | 29 A 767 | 30 S 768 | 31 V 769 | 32 D 770 | 33 P 772 | 34 H 773 | 35 V 774 | 36 C 775 | 37 R 776 | 38 L 777 | 39 L 778 | 40 G 779 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 780 | 42 Q 787 | 43 L 788 | 44 I 789 | 45 T 790 | 46 Q 791 | 47 L 792 | 48 M 793 | 49 P 794 | 50 F 795 | 51 G 796 | 52 C 797 | 53 L 798 | 54 L 799 | 55 D 800 | 56 Y 801 | 57 V 802 | 58 R 803 | 59 E 804 | 60 Y 827 |
| • | • | ••• | • | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 828 | 62 E 829 | 63 D 830 | 64 R 831 | 65 R 832 | 66 L 833 | 67 V 834 | 68 H 835 | 69 R 836 | 70 D 837 | 71 L 838 | 72 A 839 | 73 A 840 | 74 R 841 | 75 N 842 | 76 V 843 | 77 L 844 | 78 V 845 | 79 I 853 | 80 T 854 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 855 | 82 F 856 | 83 G 857 | 84 R 858 | 85 A 859 | |||||||||||||||
Interaction pattern search
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