PDB-code
| Kinase structure | |
| Kinase: | HASPIN (Haspin) |
| Family: | Haspin |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2028 |
| PDB: | 2VUW |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-09-16 |
| PubMed: | 19918057 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 5ID |
 | |
| More entries for 2VUW | |||||
| 2VUW | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.8° (15.4Å) |
| G-rich loop rotation: | 65.4° |
| Quality Score: | 7.6 |
| Resolution: | 1.8 Å |
| Missing Residues: | 1 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I4 I5 I7 | Ligand No No No No | Protein No No No No | |
| Pocket alignment | |
| Uniprot sequence: | EKIGEGVFGEVFQVAIKIIEILPEIIISKELSEGFIGLNSVVLEFEFGG-IDLEQMRTKAEASLRFEHRDLHWGNVLLIIDYTLS |
| Sequence structure: | EKIGEGVFGEVFQVAIKIIEILPEIIISKELSEGFIGLNSVVLEFEFGG_IDLEQ_RTKAEASLRFEHRDLHWGNVLLIIDYTLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL99203 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase ERK2 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | MAP kinase ERK2 | 6.3 | 6.3 | 6.3 | pKi | 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 E 488 | 2 K 489 | 3 I 490 | 4 G 491 | 5 E 492 | 6 G 493 | 7 V 494 | 8 F 495 | 9 G 496 | 10 E 497 | 11 V 498 | 12 F 499 | 13 Q 500 | 14 V 508 | 15 A 509 | 16 I 510 | 17 K 511 | 18 I 512 | 19 I 513 | 20 E 531 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 532 | 22 L 533 | 23 P 534 | 24 E 535 | 25 I 536 | 26 I 537 | 27 I 538 | 28 S 539 | 29 K 540 | 30 E 541 | 31 L 542 | 32 S 543 | 33 E 554 | 34 G 555 | 35 F 556 | 36 I 557 | 37 G 558 | 38 L 559 | 39 N 560 | 40 S 561 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 562 | 42 V 602 | 43 L 603 | 44 E 604 | 45 F 605 | 46 E 606 | 47 F 607 | 48 G 608 | 49 G 609 | 50 _ _ | 51 I 610 | 52 D 611 | 53 L 612 | 54 E 613 | 55 Q 614 | 56 _ _ | 57 R 616 | 58 T 617 | 59 K 618 | 60 A 639 |
| • | • | •• | •• | • | •• | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 E 640 | 62 A 641 | 63 S 642 | 64 L 643 | 65 R 644 | 66 F 645 | 67 E 646 | 68 H 647 | 69 R 648 | 70 D 649 | 71 L 650 | 72 H 651 | 73 W 652 | 74 G 653 | 75 N 654 | 76 V 655 | 77 L 656 | 78 L 657 | 79 I 685 | 80 I 686 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 687 | 82 Y 688 | 83 T 689 | 84 L 690 | 85 S 691 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
