PDB-code
| Kinase structure | |
| Kinase: | Ephb2 (EphB2) |
| Family: | Eph |
| Group: | TK |
| Species: | MOUSE |
| IUPHAR/BPS ID: | 1831 |
| PDB: | 2HEN |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2007-02-13 |
| PubMed: | 16977320 |
| Chain: | B |
| Orthosteric ligand: | ADP |
 | |
| More entries for 2HEN | |||
| 2HEN | Chain: | A | |
| 2HEN | Chain: | C | |
| 2HEN | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 61.4° (18.4Å) |
| G-rich loop rotation: | 80.1° |
| Quality Score: | 8.7 |
| Resolution: | 2.6 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 5 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | QVIGAGEFGEVCSVAIKTLDFLSEASIMGQFDPNVIHLEGVMIITEFMENGSLDSFLRQYLADMNYVHRDLAARNILVVSDFGLS |
| Sequence structure: | QVIGAGEFGEVCSVAIKTLDFLSEASIMGQFDPNVIHLEGVMIITEFMENGSLDSFLRQYLADMNYVHRALAARNILVVSDFG__ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
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 Q 633 | 2 V 634 | 3 I 635 | 4 G 636 | 5 A 637 | 6 G 638 | 7 E 639 | 8 F 640 | 9 G 641 | 10 E 642 | 11 V 643 | 12 C 644 | 13 S 645 | 14 V 658 | 15 A 659 | 16 I 660 | 17 K 661 | 18 T 662 | 19 L 663 | 20 D 674 |
| • | • | • | • | • | • | •• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 675 | 22 L 676 | 23 S 677 | 24 E 678 | 25 A 679 | 26 S 680 | 27 I 681 | 28 M 682 | 29 G 683 | 30 Q 684 | 31 F 685 | 32 D 686 | 33 P 688 | 34 N 689 | 35 V 690 | 36 I 691 | 37 H 692 | 38 L 693 | 39 E 694 | 40 G 695 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 696 | 42 M 704 | 43 I 705 | 44 I 706 | 45 T 707 | 46 E 708 | 47 F 709 | 48 M 710 | 49 E 711 | 50 N 712 | 51 G 713 | 52 S 714 | 53 L 715 | 54 D 716 | 55 S 717 | 56 F 718 | 57 L 719 | 58 R 720 | 59 Q 721 | 60 Y 744 |
| • | •• | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 745 | 62 A 746 | 63 D 747 | 64 M 748 | 65 N 749 | 66 Y 750 | 67 V 751 | 68 H 752 | 69 R 753 | 70 A 754 | 71 L 755 | 72 A 756 | 73 A 757 | 74 R 758 | 75 N 759 | 76 I 760 | 77 L 761 | 78 V 762 | 79 V 770 | 80 S 771 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 772 | 82 F 773 | 83 G 774 | 84 _ _ | 85 _ _ | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
