PDB-code
| Kinase structure | |
| Kinase: | DDR1 |
| Family: | DDR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1843 |
| PDB: | 3ZOS |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-05-01 |
| PubMed: | 24768818 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 0LI |
 | |
| More entries for 3ZOS | |||||
| 3ZOS | Alternative model: | A | Chain: | B | |
| 3ZOS | Alternative model: | B | Chain: | A | |
| 3ZOS | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 64.5° (20.4Å) |
| G-rich loop rotation: | 54.9° |
| Quality Score: | 8.9 |
| Resolution: | 1.92 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 7 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III BP-IV | |||
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | 0LI | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | EKLGEGQFGEVHLVAVKILDFLKEVKIMSRLKPNIIRLLGVCMITDYMENGDLNQFLSAYLATLNFVHRDLATRNCLVIADFGMS |
| Sequence structure: | EKLGEGQFGEVHLVAVKILDFLKEVKIMSRLKPNIIRLLGVCMITDYMENGDLNQFLSAYLATLNFVHRDLATRNCLVIADFGMS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1171837 |
| Bioaffinities: | 47 records for 16 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Fibroblast growth factor receptor 1 | 8.9 | 8.7 | 9.2 | pIC50 | 4 |
| Homo sapiens | Fibroblast growth factor receptor 2 | 8.9 | 8.9 | 8.9 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 8 | 8 | 8 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 4 | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 8.6 | 8.6 | 8.6 | pIC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 8.9 | 8.9 | 8.9 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 8.2 | 8.2 | 8.2 | pIC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 8.8 | 8.3 | 8.8 | pIC50 | 3 |
| Homo sapiens | Tyrosine-protein kinase ABL | 9 | 8.1 | 9.5 | pIC50 | 18 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 9.6 | 9.6 | 9.6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 9.5 | 9.5 | 9.5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7.6 | 7.5 | 9.5 | pIC50 | 4 |
| Gallus gallus | Tyrosine-protein kinase SRC | 9.1 | 9.1 | 9.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 8.5 | 8.5 | 8.6 | pIC50 | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7.7 | 7.7 | 7.7 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 8.7 | 8.4 | 8.8 | pIC50 | 6 |
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 E 614 | 2 K 615 | 3 L 616 | 4 G 617 | 5 E 618 | 6 G 619 | 7 Q 620 | 8 F 621 | 9 G 622 | 10 E 623 | 11 V 624 | 12 H 625 | 13 L 626 | 14 V 652 | 15 A 653 | 16 V 654 | 17 K 655 | 18 I 656 | 19 L 657 | 20 D 668 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 669 | 22 L 670 | 23 K 671 | 24 E 672 | 25 V 673 | 26 K 674 | 27 I 675 | 28 M 676 | 29 S 677 | 30 R 678 | 31 L 679 | 32 K 680 | 33 P 682 | 34 N 683 | 35 I 684 | 36 I 685 | 37 R 686 | 38 L 687 | 39 L 688 | 40 G 689 |
| •• | • | • | • | • | • | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 690 | 42 C 698 | 43 M 699 | 44 I 700 | 45 T 701 | 46 D 702 | 47 Y 703 | 48 M 704 | 49 E 705 | 50 N 706 | 51 G 707 | 52 D 708 | 53 L 709 | 54 N 710 | 55 Q 711 | 56 F 712 | 57 L 713 | 58 S 714 | 59 A 715 | 60 Y 756 |
| • | • | • | •• | •• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 757 | 62 A 758 | 63 T 759 | 64 L 760 | 65 N 761 | 66 F 762 | 67 V 763 | 68 H 764 | 69 R 765 | 70 D 766 | 71 L 767 | 72 A 768 | 73 T 769 | 74 R 770 | 75 N 771 | 76 C 772 | 77 L 773 | 78 V 774 | 79 I 782 | 80 A 783 |
| • | • | •• | •• | • | • | • | • | ||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 784 | 82 F 785 | 83 G 786 | 84 M 787 | 85 S 788 | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
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