PDB-code
| Kinase structure | |
| Kinase: | ERBB4 (ErbB4) |
| Family: | EGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1799 |
| PDB: | 3BBT |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-02-12 |
| PubMed: | 18334220 |
| Chain: | B |
| Orthosteric ligand: | FMM |
 | |
| More entries for 3BBT | |||
| 3BBT | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 48.2° (15Å) |
| G-rich loop rotation: | 50.8° |
| Quality Score: | 8 |
| Resolution: | 2.8 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-A-in | |||
| Pocket alignment | |
| Uniprot sequence: | KVLGSGAFGTVYKVAIKILEFMDEALIMASMDPHLVRLLGVQLVTQLMPHGCLLEYVHEYLEERRLVHRDLAARNVLVITDFGLA |
| Sequence structure: | KVLGSGAFGTVYKVAIKILEFMDEALIMASMDPHLVRLLGVQLVTQLMPHGCLLEYVHEYLEERRLVHRDLAARNVLVITDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL554 |
| Bioaffinities: | 103 records for 15 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 5 | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 7 | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 8 | 6.4 | 8.5 | pIC50 | 34 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 8.6 | 6.1 | 9 | pKd | 22 |
| Homo sapiens | Insulin receptor | 4.8 | 4.8 | 4.8 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 8 | 6.3 | 8.6 | pIC50 | 23 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 8.2 | 8 | 8.2 | pKd | 3 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | 8.8 | 8.8 | 8.8 | pKi | 2 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 7.3 | 7.3 | 7.3 | pKd | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 7.6 | 7.6 | 7.6 | pKi | 2 |
| Homo sapiens | Receptor tyrosine-protein kinase erbB-3 | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 10 | 5.4 | 5.4 | 5.6 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 5 | 5 | 5.5 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 5.7 | 5.7 | 5.7 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase ABL | 4.6 | 4.6 | 4.6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 5.9 | 5.9 | 5.9 | pKi | 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 697 | 2 V 698 | 3 L 699 | 4 G 700 | 5 S 701 | 6 G 702 | 7 A 703 | 8 F 704 | 9 G 705 | 10 T 706 | 11 V 707 | 12 Y 708 | 13 K 709 | 14 V 723 | 15 A 724 | 16 I 725 | 17 K 726 | 18 I 727 | 19 L 728 | 20 E 739 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 740 | 22 M 741 | 23 D 742 | 24 E 743 | 25 A 744 | 26 L 745 | 27 I 746 | 28 M 747 | 29 A 748 | 30 S 749 | 31 M 750 | 32 D 751 | 33 P 753 | 34 H 754 | 35 L 755 | 36 V 756 | 37 R 757 | 38 L 758 | 39 L 759 | 40 G 760 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 761 | 42 Q 768 | 43 L 769 | 44 V 770 | 45 T 771 | 46 Q 772 | 47 L 773 | 48 M 774 | 49 P 775 | 50 H 776 | 51 G 777 | 52 C 778 | 53 L 779 | 54 L 780 | 55 E 781 | 56 Y 782 | 57 V 783 | 58 H 784 | 59 E 785 | 60 Y 808 |
| • | • | • | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 809 | 62 E 810 | 63 E 811 | 64 R 812 | 65 R 813 | 66 L 814 | 67 V 815 | 68 H 816 | 69 R 817 | 70 D 818 | 71 L 819 | 72 A 820 | 73 A 821 | 74 R 822 | 75 N 823 | 76 V 824 | 77 L 825 | 78 V 826 | 79 I 834 | 80 T 835 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 836 | 82 F 837 | 83 G 838 | 84 L 839 | 85 A 840 | |||||||||||||||
| • | •• | • | |||||||||||||||||
Interaction pattern search
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