PDB-code
| Kinase structure | |
| Kinase: | ROR1 |
| Family: | Ror |
| Group: | TK |
| Species: | HUMAN |
| PDB: | 6TU9 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-01-22 |
| PubMed: | 32619402 |
| Chain: | A |
| Orthosteric ligand: | 0LI |
 | |
| More entries for 6TU9 | |||
| 6TU9 | Chain: | B | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 63.7° (19.8Å) |
| G-rich loop rotation: | 57.4° |
| Quality Score: | 7.2 |
| Resolution: | 1.94 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 31 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III BP-IV | |||
| Pocket alignment | |
| Uniprot sequence: | EELGECAFGKIYKVAIKTLEFQQEASLMAELHPNIVCLLGACMLFEYINQGDLHEFLIMYLSSHFFVHKDLAARNILIISDLGLS |
| Sequence structure: | EELGECAFGKIYKVAIKTLEFQQEASLMAELHPNIVCLLGACMLFEYINQGDLHEFLIMYLSSHFFVHKDLAARNILIISDLGLS |
| 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 477 | 2 E 478 | 3 L 479 | 4 G 480 | 5 E 481 | 6 C 482 | 7 A 483 | 8 F 484 | 9 G 485 | 10 K 486 | 11 I 487 | 12 Y 488 | 13 K 489 | 14 V 503 | 15 A 504 | 16 I 505 | 17 K 506 | 18 T 507 | 19 L 508 | 20 E 519 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 520 | 22 Q 521 | 23 Q 522 | 24 E 523 | 25 A 524 | 26 S 525 | 27 L 526 | 28 M 527 | 29 A 528 | 30 E 529 | 31 L 530 | 32 H 531 | 33 P 533 | 34 N 534 | 35 I 535 | 36 V 536 | 37 C 537 | 38 L 538 | 39 L 539 | 40 G 540 |
| •• | • | • | • | • | • | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 541 | 42 C 549 | 43 M 550 | 44 L 551 | 45 F 552 | 46 E 553 | 47 Y 554 | 48 I 555 | 49 N 556 | 50 Q 557 | 51 G 558 | 52 D 559 | 53 L 560 | 54 H 561 | 55 E 562 | 56 F 563 | 57 L 564 | 58 I 565 | 59 M 566 | 60 Y 605 |
| •• | • | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 606 | 62 S 607 | 63 S 608 | 64 H 609 | 65 F 610 | 66 F 611 | 67 V 612 | 68 H 613 | 69 K 614 | 70 D 615 | 71 L 616 | 72 A 617 | 73 A 618 | 74 R 619 | 75 N 620 | 76 I 621 | 77 L 622 | 78 I 623 | 79 I 631 | 80 S 632 |
| • | • | •• | •• | • | • | • | • | ||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 633 | 82 L 634 | 83 G 635 | 84 L 636 | 85 S 637 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
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