PDB-code
| Kinase structure | |
| Kinase: | BMX |
| Family: | Tec |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1942 |
| PDB: | 3SXS |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2011-09-21 |
| PubMed: | 21883956 |
| Chain: | A |
| Orthosteric ligand: | PP2 |
 | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.7° (15.4Å) |
| G-rich loop rotation: | 62.7° |
| Quality Score: | 8 |
| Resolution: | 1.89 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-B | Cluster I1 I5 I7 | Ligand No No No | Protein Yes Yes No |
| Pocket alignment | |
| Uniprot sequence: | KELGSGQFGVVQLVAVKMIEFFQEAQTMMKLSPKLVKFYGVYIVTEYISNGCLLNYLRSFLESHQFIHRDLAARNCLVVSDFGMT |
| Sequence structure: | KELGSGQFGVVKLVAVKMIEFFQEAQTMMKLSPKLVKFYGVYIVTEYISNGCLLNYLRSFLESHQFIHRDLAARNCLVVSDFGMT |
| 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 K 421 | 2 E 422 | 3 L 423 | 4 G 424 | 5 S 425 | 6 G 426 | 7 Q 427 | 8 F 428 | 9 G 429 | 10 V 430 | 11 V 431 | 12 K 432 | 13 L 433 | 14 V 442 | 15 A 443 | 16 V 444 | 17 K 445 | 18 M 446 | 19 I 447 | 20 E 456 |
| • | • | • | • | • | • | • | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 457 | 22 F 458 | 23 Q 459 | 24 E 460 | 25 A 461 | 26 Q 462 | 27 T 463 | 28 M 464 | 29 M 465 | 30 K 466 | 31 L 467 | 32 S 468 | 33 P 470 | 34 K 471 | 35 L 472 | 36 V 473 | 37 K 474 | 38 F 475 | 39 Y 476 | 40 G 477 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 478 | 42 Y 486 | 43 I 487 | 44 V 488 | 45 T 489 | 46 E 490 | 47 Y 491 | 48 I 492 | 49 S 493 | 50 N 494 | 51 G 495 | 52 C 496 | 53 L 497 | 54 L 498 | 55 N 499 | 56 Y 500 | 57 L 501 | 58 R 502 | 59 S 503 | 60 F 526 |
| • | • | • | •• | •• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 527 | 62 E 528 | 63 S 529 | 64 H 530 | 65 Q 531 | 66 F 532 | 67 I 533 | 68 H 534 | 69 R 535 | 70 D 536 | 71 L 537 | 72 A 538 | 73 A 539 | 74 R 540 | 75 N 541 | 76 C 542 | 77 L 543 | 78 V 544 | 79 V 552 | 80 S 553 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 554 | 82 F 555 | 83 G 556 | 84 M 557 | 85 T 558 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
