PDB-code
| Kinase structure | |
| Kinase: | PKN2 |
| Family: | PKN |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1521 |
| PDB: | 4CRS |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-03-12 |
| Chain: | A |
| Orthosteric ligand: | AGS |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.3° (15Å) |
| G-rich loop rotation: | 60.7° |
| Quality Score: | 8 |
| Resolution: | 2.75 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | AVLGRGHFGKVLLFAIKALSLMCEKRIFETVNPFLVNLFACCFVMEYAAGGDLMMHIHTYLHEHKIVYRDLKLDNLLLIADFGLC |
| Sequence structure: | AVLLRGHFGKVLLFAIKALSLMCEKRIFETVNPFLVNLFACCFVMEYAAGGDLMMHIHTYLHEHKIVYRDLKLDNLLLIADFGLC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL131890 |
| 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 A 661 | 2 V 662 | 3 L 663 | 4 L 664 | 5 R 665 | 6 G 666 | 7 H 667 | 8 F 668 | 9 G 669 | 10 K 670 | 11 V 671 | 12 L 672 | 13 L 673 | 14 F 683 | 15 A 684 | 16 I 685 | 17 K 686 | 18 A 687 | 19 L 688 | 20 S 701 |
| • | • | • | • | • | • | • | • | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 702 | 22 M 703 | 23 C 704 | 24 E 705 | 25 K 706 | 26 R 707 | 27 I 708 | 28 F 709 | 29 E 710 | 30 T 711 | 31 V 712 | 32 N 713 | 33 P 718 | 34 F 719 | 35 L 720 | 36 V 721 | 37 N 722 | 38 L 723 | 39 F 724 | 40 A 725 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 726 | 42 C 734 | 43 F 735 | 44 V 736 | 45 M 737 | 46 E 738 | 47 Y 739 | 48 A 740 | 49 A 741 | 50 G 742 | 51 G 743 | 52 D 744 | 53 L 745 | 54 M 746 | 55 M 747 | 56 H 748 | 57 I 749 | 58 H 750 | 59 T 751 | 60 Y 772 |
| • | • | •• | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 773 | 62 H 774 | 63 E 775 | 64 H 776 | 65 K 777 | 66 I 778 | 67 V 779 | 68 Y 780 | 69 R 781 | 70 D 782 | 71 L 783 | 72 K 784 | 73 L 785 | 74 D 786 | 75 N 787 | 76 L 788 | 77 L 789 | 78 L 790 | 79 I 798 | 80 A 799 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 800 | 82 F 801 | 83 G 802 | 84 L 803 | 85 C 804 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
