PDB-code
| Kinase structure | |
| Kinase: | EPHB1 (EphB1) |
| Family: | Eph |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1830 |
| PDB: | 5MJA |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2017-05-17 |
| PubMed: | 28459525 |
| Chain: | A |
| Orthosteric ligand: | 7O3 |
 | |
| More entries for 5MJA | |||
| 5MJA | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60.1° (18.2Å) |
| G-rich loop rotation: | 83.7° |
| Quality Score: | 8 |
| Resolution: | 2.14 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-A BP-I-B | Cluster I9 | Ligand No | Protein No |
| Pocket alignment | |
| Uniprot sequence: | EVIGAGEFGEVYKVAIKTLDFLSEASIMGQFDPNIIRLEGVMIITEFMENGALDSFLRQYLAEMNYVHRDLAARNILVVSDFGLS |
| Sequence structure: | EVIGAGEFGEVYKVAIKTLDFLSEASIMGQFDRNIIRLEGVMIITEFMENGALDSFLRQYLSEMNYVHRDLAARNILVVSDFGLS |
| 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 E 623 | 2 V 624 | 3 I 625 | 4 G 626 | 5 A 627 | 6 G 628 | 7 E 629 | 8 F 630 | 9 G 631 | 10 E 632 | 11 V 633 | 12 Y 634 | 13 K 635 | 14 V 648 | 15 A 649 | 16 I 650 | 17 K 651 | 18 T 652 | 19 L 653 | 20 D 664 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 665 | 22 L 666 | 23 S 667 | 24 E 668 | 25 A 669 | 26 S 670 | 27 I 671 | 28 M 672 | 29 G 673 | 30 Q 674 | 31 F 675 | 32 D 676 | 33 R 678 | 34 N 679 | 35 I 680 | 36 I 681 | 37 R 682 | 38 L 683 | 39 E 684 | 40 G 685 |
| •• | • | • | |||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 686 | 42 M 694 | 43 I 695 | 44 I 696 | 45 T 697 | 46 E 698 | 47 F 699 | 48 M 700 | 49 E 701 | 50 N 702 | 51 G 703 | 52 A 704 | 53 L 705 | 54 D 706 | 55 S 707 | 56 F 708 | 57 L 709 | 58 R 710 | 59 Q 711 | 60 Y 734 |
| • | •• | • | • | •• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 735 | 62 S 736 | 63 E 737 | 64 M 738 | 65 N 739 | 66 Y 740 | 67 V 741 | 68 H 742 | 69 R 743 | 70 D 744 | 71 L 745 | 72 A 746 | 73 A 747 | 74 R 748 | 75 N 749 | 76 I 750 | 77 L 751 | 78 V 752 | 79 V 760 | 80 S 761 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 762 | 82 F 763 | 83 G 764 | 84 L 765 | 85 S 766 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
