PDB-code
| Kinase structure | |
| Kinase: | NTRK1 (TRKA) |
| Family: | Trk |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1817 |
| PDB: | 6DKG |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-07-11 |
| PubMed: | 29944371 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | GO7 |
 | |
| More entries for 6DKG | |||||
| 6DKG | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 64.4° (20.1Å) |
| G-rich loop rotation: | 59.6° |
| Quality Score: | 6.4 |
| Resolution: | 2.53 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-B BP-II-out BP-III | Cluster I4 O1 | Ligand No No | Protein Yes Yes |
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | 22L | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | WELGEGAFGKVFLVAVKALDFQREAELLTMLQQHIVRFFGVLMVFEYMRHGDLNRFLRSYLAGLHFVHRDLATRNCLVIGDFGMS |
| Sequence structure: | WELGEGAFGKVFLVAVKALDFQREAELLTMLQQHIVRFFGVLMVFEYMRHGDLNRFLRSYLAGLHFVHRDLATRNCLVIGDFG__ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4203759 |
| Bioaffinities: | 4 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Nerve growth factor receptor Trk-A | 5.1 | 5.1 | 5.1 | pIC50 | 1 |
| Homo sapiens | Nerve growth factor receptor Trk-A | 8.6 | 8.6 | 8.6 | pKd | 1 |
| Homo sapiens | Neurotrophic tyrosine kinase receptor type 2 | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | NT-3 growth factor receptor | 8.4 | 8.4 | 8.4 | 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 _ _ | 85 _ _ | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
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