PDB-code
| Kinase structure | |
| Kinase: | EGFR |
| Family: | EGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1797 |
| PDB: | 4LRM |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-01-15 |
| PubMed: | 24353160 |
| Chain: | A |
| Orthosteric ligand: | YUN |
 | |
| More entries for 4LRM | |||
| 4LRM | Chain: | B | |
| 4LRM | Chain: | C | |
| 4LRM | Chain: | D | |
| 4LRM | Chain: | E | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 48.5° (15Å) |
| G-rich loop rotation: | 34.7° |
| Quality Score: | 9.6 |
| Resolution: | 3.53 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-A BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | KVLGSGAFGTVYKVAIKELEILDEAYVMASVDPHVCRLLGIQLITQLMPFGCLLDYVREYLEDRRLVHRDLAARNVLVITDFGLA |
| Sequence structure: | KVLGSGAFGTVYKVAIKELEILDEAYVMASVDPHVCRLLGIQLITQLMPFGCLLDYVREYLEDRRLVHRDLAARNVLVITDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL188762 |
| Bioaffinities: | 6 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Epidermal growth factor receptor erbB1 | 9.4 | 8.6 | 10 | pIC50 | 3 |
| Gallus gallus | Tyrosine-protein kinase SRC | 5.2 | 5.2 | 5.2 | pIC50 | 2 |
| Gallus gallus | Tyrosine-protein kinase SRC | 4.4 | 4.4 | 4.4 | pKd | 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 L 747 | 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 775 | 34 H 776 | 35 V 777 | 36 C 778 | 37 R 779 | 38 L 780 | 39 L 781 | 40 G 782 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 783 | 42 Q 790 | 43 L 791 | 44 I 792 | 45 T 793 | 46 Q 794 | 47 L 795 | 48 M 796 | 49 P 797 | 50 F 798 | 51 G 799 | 52 C 800 | 53 L 801 | 54 L 802 | 55 D 803 | 56 Y 804 | 57 V 805 | 58 R 806 | 59 E 807 | 60 Y 830 |
| • | • | • | • | • | •• | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 831 | 62 E 832 | 63 D 833 | 64 R 834 | 65 R 835 | 66 L 836 | 67 V 837 | 68 H 838 | 69 R 839 | 70 D 840 | 71 L 841 | 72 A 842 | 73 A 843 | 74 R 844 | 75 N 845 | 76 V 846 | 77 L 847 | 78 V 848 | 79 I 856 | 80 T 857 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 858 | 82 F 859 | 83 G 860 | 84 L 861 | 85 A 862 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
