PDB-code
| Kinase structure | |
| Kinase: | ERBB4 (ErbB4) |
| Family: | EGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1799 |
| PDB: | 2R4B |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-03-18 |
| PubMed: | 18287036 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | GW7 |
 | |
| More entries for 2R4B | |||||
| 2R4B | Alternative model: | A | Chain: | B | |
| 2R4B | Alternative model: | B | Chain: | A | |
| 2R4B | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 48.2° (15Å) |
| G-rich loop rotation: | 45.2° |
| Quality Score: | 9.2 |
| Resolution: | 2.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 8 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-A-in | Cluster I1 I3 I6 | Ligand No No Yes | Protein Yes Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | KVLGSGAFGTVYKVAIKILEFMDEALIMASMDPHLVRLLGVQLVTQLMPHGCLLEYVHEYLEERRLVHRDLAARNVLVITDFGLA |
| Sequence structure: | KVLGSGAFGTVYKVAIKILEFMDEALIMASMDPHLVRLLGVQLVTQLMPHGCLLEYVHEYLEERRLVHRDLAARNVLVITDFGLA |
| 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 722 | 2 V 723 | 3 L 724 | 4 G 725 | 5 S 726 | 6 G 727 | 7 A 728 | 8 F 729 | 9 G 730 | 10 T 731 | 11 V 732 | 12 Y 733 | 13 K 734 | 14 V 748 | 15 A 749 | 16 I 750 | 17 K 751 | 18 I 752 | 19 L 753 | 20 E 764 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 765 | 22 M 766 | 23 D 767 | 24 E 768 | 25 A 769 | 26 L 770 | 27 I 771 | 28 M 772 | 29 A 773 | 30 S 774 | 31 M 775 | 32 D 776 | 33 P 778 | 34 H 779 | 35 L 780 | 36 V 781 | 37 R 782 | 38 L 783 | 39 L 784 | 40 G 785 |
| • | • | • | • | ||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 786 | 42 Q 793 | 43 L 794 | 44 V 795 | 45 T 796 | 46 Q 797 | 47 L 798 | 48 M 799 | 49 P 800 | 50 H 801 | 51 G 802 | 52 C 803 | 53 L 804 | 54 L 805 | 55 E 806 | 56 Y 807 | 57 V 808 | 58 H 809 | 59 E 810 | 60 Y 833 |
| • | • | • | • | • | •• | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 834 | 62 E 835 | 63 E 836 | 64 R 837 | 65 R 838 | 66 L 839 | 67 V 840 | 68 H 841 | 69 R 842 | 70 D 843 | 71 L 844 | 72 A 845 | 73 A 846 | 74 R 847 | 75 N 848 | 76 V 849 | 77 L 850 | 78 V 851 | 79 I 859 | 80 T 860 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 861 | 82 F 862 | 83 G 863 | 84 L 864 | 85 A 865 | |||||||||||||||
| • | •• | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
