PDB-code
| Kinase structure | |
| Kinase: | EIF2AK4 (GCN2) |
| Family: | PEK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2018 |
| PDB: | 6N3N |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-10-09 |
| PubMed: | 31620240 |
| Chain: | A |
| Orthosteric ligand: | KA4 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 4 |
| Resolution: | 3.01 Å |
| Missing Residues: | 18 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-A BP-I-B BP-II-in BP-II-A-in | |||
| Pocket alignment | |
| Uniprot sequence: | QLLGKGAFGAVIKYAVKRIRIKGEVTLLSRLHENIVRYYNALDSVEAAAPPPILSSSVEYIHEKGMIHRDLKPVNIFLIGDFGLA |
| Sequence structure: | QLLGKGAFGAVIKYAVKRIRIKGEVTLLSRLHENIVRYYNA__________________YIHEKGMIHRNLKPVNIFLIGDFGLA |
| 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 Q 594 | 2 L 595 | 3 L 596 | 4 G 597 | 5 K 598 | 6 G 599 | 7 A 600 | 8 F 601 | 9 G 602 | 10 A 603 | 11 V 604 | 12 I 605 | 13 K 606 | 14 Y 616 | 15 A 617 | 16 V 618 | 17 K 619 | 18 R 620 | 19 I 621 | 20 R 632 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 633 | 22 K 634 | 23 G 635 | 24 E 636 | 25 V 637 | 26 T 638 | 27 L 639 | 28 L 640 | 29 S 641 | 30 R 642 | 31 L 643 | 32 H 644 | 33 E 646 | 34 N 647 | 35 I 648 | 36 V 649 | 37 R 650 | 38 Y 651 | 39 Y 652 | 40 N 653 |
| • | • | • | • | •• | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 654 | 42 _ _ | 43 _ _ | 44 _ _ | 45 _ _ | 46 _ _ | 47 _ _ | 48 _ _ | 49 _ _ | 50 _ _ | 51 _ _ | 52 _ _ | 53 _ _ | 54 _ _ | 55 _ _ | 56 _ _ | 57 _ _ | 58 _ _ | 59 _ _ | 60 Y 838 |
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 839 | 62 H 840 | 63 E 841 | 64 K 842 | 65 G 843 | 66 M 844 | 67 I 845 | 68 H 846 | 69 R 847 | 70 N 848 | 71 L 849 | 72 K 850 | 73 P 851 | 74 V 852 | 75 N 853 | 76 I 854 | 77 F 855 | 78 L 856 | 79 I 864 | 80 G 865 |
| •• | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 866 | 82 F 867 | 83 G 868 | 84 L 869 | 85 A 870 | |||||||||||||||
| •• | •• | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
