PDB-code
| Kinase structure | |
| Kinase: | DDR2 |
| Family: | DDR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1844 |
| PDB: | 7AYM |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-12-16 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 4VD |
 | |
| More entries for 7AYM | |||||
| 7AYM | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 68.3° (20.6Å) |
| G-rich loop rotation: | 65° |
| Quality Score: | 6.8 |
| Resolution: | 2.12 Å |
| Missing Residues: | 1 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III | |||
| Pocket alignment | |
| Uniprot sequence: | EKLGEGQFGEVHLVAVKMLDFLKEIKIMSRLKPNIIHLLAVCMITEYMENGDLNQFLSRYLSSLNFVHRDLATRNCLVIADFGMS |
| Sequence structure: | EKLGEG_FGEVHLVAVKMLDFLKEIKIMSRLKPNIIHLLAVCMITEYMENGDLNQFLSRYLSSLNFVHRDLATRNCLVIADFGMS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3608786 |
| Bioaffinities: | 3 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Discoidin domain-containing receptor 2 | 8.1 | 8.1 | 8.1 | pEC50 | 1 |
| Homo sapiens | Discoidin domain-containing receptor 2 | 8.5 | 8.5 | 8.5 | pIC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 7.7 | 7.7 | 7.7 | pIC50 | 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 E 567 | 2 K 568 | 3 L 569 | 4 G 570 | 5 E 571 | 6 G 572 | 7 _ _ | 8 F 574 | 9 G 575 | 10 E 576 | 11 V 577 | 12 H 578 | 13 L 579 | 14 V 605 | 15 A 606 | 16 V 607 | 17 K 608 | 18 M 609 | 19 L 610 | 20 D 621 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 622 | 22 L 623 | 23 K 624 | 24 E 625 | 25 I 626 | 26 K 627 | 27 I 628 | 28 M 629 | 29 S 630 | 30 R 631 | 31 L 632 | 32 K 633 | 33 P 635 | 34 N 636 | 35 I 637 | 36 I 638 | 37 H 639 | 38 L 640 | 39 L 641 | 40 A 642 |
| • | • | • | • | • | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 643 | 42 C 651 | 43 M 652 | 44 I 653 | 45 T 654 | 46 E 655 | 47 Y 656 | 48 M 657 | 49 E 658 | 50 N 659 | 51 G 660 | 52 D 661 | 53 L 662 | 54 N 663 | 55 Q 664 | 56 F 665 | 57 L 666 | 58 S 667 | 59 R 668 | 60 Y 709 |
| • | •• | •• | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 710 | 62 S 711 | 63 S 712 | 64 L 713 | 65 N 714 | 66 F 715 | 67 V 716 | 68 H 717 | 69 R 718 | 70 D 719 | 71 L 720 | 72 A 721 | 73 T 722 | 74 R 723 | 75 N 724 | 76 C 725 | 77 L 726 | 78 V 727 | 79 I 735 | 80 A 736 |
| • | • | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 737 | 82 F 738 | 83 G 739 | 84 M 740 | 85 S 741 | |||||||||||||||
| • | • | ||||||||||||||||||
Interaction pattern search
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