PDB-code
| Kinase structure | |
| Kinase: | MAP3K5 |
| Family: | STE11 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2080 |
| PDB: | 6E2N |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-09-19 |
| PubMed: | 30024858 |
| Chain: | A |
| Orthosteric ligand: | KK8 |
 | |
| More entries for 6E2N | |||
| 6E2N | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.4° (14.5Å) |
| G-rich loop rotation: | 73.1° |
| Quality Score: | 8 |
| Resolution: | 2.1 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I4 I5 | Ligand No No Yes | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | VVLGKGTYGIVYAIAIKEIPLHEEIALHKHLKKNIVQYLGSKIFMEQVPGGSLSALLRSYLHDNQIVHRDIKGDNVLIISDFGTS |
| Sequence structure: | VVLGKGTYGIVYAIAIKEIPLHEEIALHKHLKKNIVQYLGSKIFMEQVPGGSLSALLRSYLHDNQIVHRDIKGDNVLIISDFGTS |
| 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 V 684 | 2 V 685 | 3 L 686 | 4 G 687 | 5 K 688 | 6 G 689 | 7 T 690 | 8 Y 691 | 9 G 692 | 10 I 693 | 11 V 694 | 12 Y 695 | 13 A 696 | 14 I 706 | 15 A 707 | 16 I 708 | 17 K 709 | 18 E 710 | 19 I 711 | 20 P 721 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 722 | 22 H 723 | 23 E 724 | 24 E 725 | 25 I 726 | 26 A 727 | 27 L 728 | 28 H 729 | 29 K 730 | 30 H 731 | 31 L 732 | 32 K 733 | 33 K 735 | 34 N 736 | 35 I 737 | 36 V 738 | 37 Q 739 | 38 Y 740 | 39 L 741 | 40 G 742 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 743 | 42 K 751 | 43 I 752 | 44 F 753 | 45 M 754 | 46 E 755 | 47 Q 756 | 48 V 757 | 49 P 758 | 50 G 759 | 51 G 760 | 52 S 761 | 53 L 762 | 54 S 763 | 55 A 764 | 56 L 765 | 57 L 766 | 58 R 767 | 59 S 768 | 60 Y 793 |
| • | • | •• | • | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 794 | 62 H 795 | 63 D 796 | 64 N 797 | 65 Q 798 | 66 I 799 | 67 V 800 | 68 H 801 | 69 R 802 | 70 D 803 | 71 I 804 | 72 K 805 | 73 G 806 | 74 D 807 | 75 N 808 | 76 V 809 | 77 L 810 | 78 I 811 | 79 I 820 | 80 S 821 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 822 | 82 F 823 | 83 G 824 | 84 T 825 | 85 S 826 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
