PDB-code
| Kinase structure | |
| Kinase: | EGFR |
| Family: | EGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1797 |
| PDB: | 4RIY |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-12-10 |
| PubMed: | 25468994 |
| Chain: | B |
| Orthosteric ligand: | ADP |
 | |
| More entries for 4RIY | |||
| 4RIY | Chain: | A | |
| 4RIY | Chain: | C | |
| 4RIY | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 57.9° (18.3Å) |
| G-rich loop rotation: | 42.5° |
| Quality Score: | 8 |
| Resolution: | 2.98 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | KVLGSGAFGTVYKVAIKELEILDEAYVMASVDPHVCRLLGIQLITQLMPFGCLLDYVREYLEDRRLVHRDLAARNVLVITDFGLA |
| Sequence structure: | KVLGSGAFGTVYKVAIKELEILDEAYVMASVDPHVCRLLGIQLITQLMPFGCLLDYVREYLEDRRLVHRDLAARNVLVITDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 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 K 692 | 2 V 693 | 3 L 694 | 4 G 695 | 5 S 696 | 6 G 697 | 7 A 698 | 8 F 699 | 9 G 700 | 10 T 701 | 11 V 702 | 12 Y 703 | 13 K 704 | 14 V 718 | 15 A 719 | 16 I 720 | 17 K 721 | 18 E 722 | 19 L 723 | 20 E 734 |
| • | • | • | •• | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 735 | 22 L 736 | 23 D 737 | 24 E 738 | 25 A 739 | 26 Y 740 | 27 V 741 | 28 M 742 | 29 A 743 | 30 S 744 | 31 V 745 | 32 D 746 | 33 P 748 | 34 H 749 | 35 V 750 | 36 C 751 | 37 R 752 | 38 L 753 | 39 L 754 | 40 G 755 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 756 | 42 Q 763 | 43 L 764 | 44 I 765 | 45 T 766 | 46 Q 767 | 47 L 768 | 48 M 769 | 49 P 770 | 50 F 771 | 51 G 772 | 52 C 773 | 53 L 774 | 54 L 775 | 55 D 776 | 56 Y 777 | 57 V 778 | 58 R 779 | 59 E 780 | 60 Y 803 |
| • | • | • | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 804 | 62 E 805 | 63 D 806 | 64 R 807 | 65 R 808 | 66 L 809 | 67 V 810 | 68 H 811 | 69 R 812 | 70 D 813 | 71 L 814 | 72 A 815 | 73 A 816 | 74 R 817 | 75 N 818 | 76 V 819 | 77 L 820 | 78 V 821 | 79 I 829 | 80 T 830 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 831 | 82 F 832 | 83 G 833 | 84 L 834 | 85 A 835 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
