PDB-code
| More entries for 2Q0B | |||
| 2Q0B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 6.8 |
| Resolution: | 2.9 Å |
| Missing Residues: | 5 |
| Missing Atoms: | 12 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I4 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KPLGEGCFGQVVMVAVKMLDLVSEMEMMKMIGKNIINLLGAYVIVEYASKGNLREYLRAYLASQKCIHRDLAARNVLVIADFGLA |
| Sequence structure: | KPLG_____QVVMVAVKMLDLVSEMEMMKMIGKNIINLLGAYVIVAYASKGNLREYLRAYLASQKCIHRDLAARNVLVIADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL133463 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 485 | 2 P 486 | 3 L 487 | 4 G 493 | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 _ _ | 10 Q 494 | 11 V 495 | 12 V 496 | 13 M 497 | 14 V 514 | 15 A 515 | 16 V 516 | 17 K 517 | 18 M 518 | 19 L 519 | 20 D 530 |
| • | • | • | |||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 531 | 22 V 532 | 23 S 533 | 24 E 534 | 25 M 535 | 26 E 536 | 27 M 537 | 28 M 538 | 29 K 539 | 30 M 540 | 31 I 541 | 32 G 542 | 33 K 545 | 34 N 546 | 35 I 547 | 36 I 548 | 37 N 549 | 38 L 550 | 39 L 551 | 40 G 552 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 553 | 42 Y 561 | 43 V 562 | 44 I 563 | 45 V 564 | 46 A 565 | 47 Y 566 | 48 A 567 | 49 S 568 | 50 K 569 | 51 G 570 | 52 N 571 | 53 L 572 | 54 R 573 | 55 E 574 | 56 Y 575 | 57 L 576 | 58 R 577 | 59 A 578 | 60 Y 616 |
| •• | •• | ||||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 617 | 62 A 618 | 63 S 619 | 64 Q 620 | 65 K 621 | 66 C 622 | 67 I 623 | 68 H 624 | 69 R 625 | 70 D 626 | 71 L 627 | 72 A 628 | 73 A 629 | 74 R 630 | 75 N 631 | 76 V 632 | 77 L 633 | 78 V 634 | 79 I 642 | 80 A 643 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 644 | 82 F 645 | 83 G 646 | 84 L 647 | 85 A 648 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





