PDB-code
| Kinase structure | |
| Kinase: | DDR1 |
| Family: | DDR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1843 |
| PDB: | 5SB1 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-06-29 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 1JI |
 | |
| More entries for 5SB1 | |||||
| 5SB1 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 61.4° (18.6Å) |
| G-rich loop rotation: | 56.6° |
| Quality Score: | 7.2 |
| Resolution: | 1.53 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | EKLGEGQFGEVHLVAVKILDFLKEVKIMSRLKPNIIRLLGVCMITDYMENGDLNQFLSAYLATLNFVHRDLATRNCLVIADFGMS |
| Sequence structure: | EKLGEGQFGEVHLVAVKILDFLKEVKIMSRLKPNIIRLLGVCMITDYMENGDLNQFLSAYLATLNFVHRDLATRNCLVIADFGMS |
| 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 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 750 |
| • | • | •• | ••• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 751 | 62 A 752 | 63 T 753 | 64 L 754 | 65 N 755 | 66 F 756 | 67 V 757 | 68 H 758 | 69 R 759 | 70 D 760 | 71 L 761 | 72 A 762 | 73 T 763 | 74 R 764 | 75 N 765 | 76 C 766 | 77 L 767 | 78 V 768 | 79 I 776 | 80 A 777 |
| • | •• | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 778 | 82 F 779 | 83 G 780 | 84 M 781 | 85 S 782 | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
