PDB-code
| Kinase structure | |
| Kinase: | NTRK1 (TRKA) |
| Family: | Trk |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1817 |
| PDB: | 4YNE |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-06-03 |
| PubMed: | 26005534 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 4EK |
 | |
| More entries for 4YNE | |||||
| 4YNE | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.7° (16Å) |
| G-rich loop rotation: | 45.3° |
| Quality Score: | 8 |
| Resolution: | 2.02 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I BP-I-B | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | WELGEGAFGKVFLVAVKALDFQREAELLTMLQQHIVRFFGVLMVFEYMRHGDLNRFLRSYLAGLHFVHRDLATRNCLVIGDFGMS |
| Sequence structure: | WELGEGAFGKVFLVAVKALDFQREAELLTMLQQHIVRFFGVLMVFEYMRHGDLNRFLRSYLAGLHFVHRDLATRNCLVIGDFGMS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3582439 |
| Bioaffinities: | 18 records for 17 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | ALK tyrosine kinase receptor | 5.2 | 5.2 | 5.2 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 4 | 5 | 5 | 5 | pIC50 | 1 |
| Homo sapiens | Hepatocyte growth factor receptor | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Insulin receptor | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Nerve growth factor receptor Trk-A | 8.5 | 8.5 | 8.5 | pIC50 | 1 |
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | NT-3 growth factor receptor | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase ROS | 6.2 | 6.2 | 6.2 | pIC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase FGR | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 5.2 | 5.2 | 5.2 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 5.2 | 5.2 | 5.2 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor Tie-1 | 5.2 | 5.2 | 5.2 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 5.2 | 5.2 | 5.2 | 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 W 514 | 2 E 515 | 3 L 516 | 4 G 517 | 5 E 518 | 6 G 519 | 7 A 520 | 8 F 521 | 9 G 522 | 10 K 523 | 11 V 524 | 12 F 525 | 13 L 526 | 14 V 541 | 15 A 542 | 16 V 543 | 17 K 544 | 18 A 545 | 19 L 546 | 20 D 556 |
| • | • | •• | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 557 | 22 Q 558 | 23 R 559 | 24 E 560 | 25 A 561 | 26 E 562 | 27 L 563 | 28 L 564 | 29 T 565 | 30 M 566 | 31 L 567 | 32 Q 568 | 33 Q 570 | 34 H 571 | 35 I 572 | 36 V 573 | 37 R 574 | 38 F 575 | 39 F 576 | 40 G 577 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 578 | 42 L 586 | 43 M 587 | 44 V 588 | 45 F 589 | 46 E 590 | 47 Y 591 | 48 M 592 | 49 R 593 | 50 H 594 | 51 G 595 | 52 D 596 | 53 L 597 | 54 N 598 | 55 R 599 | 56 F 600 | 57 L 601 | 58 R 602 | 59 S 603 | 60 Y 640 |
| •• | • | •• | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 641 | 62 A 642 | 63 G 643 | 64 L 644 | 65 H 645 | 66 F 646 | 67 V 647 | 68 H 648 | 69 R 649 | 70 D 650 | 71 L 651 | 72 A 652 | 73 T 653 | 74 R 654 | 75 N 655 | 76 C 656 | 77 L 657 | 78 V 658 | 79 I 666 | 80 G 667 |
| • | • | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 668 | 82 F 669 | 83 G 670 | 84 M 671 | 85 S 677 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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