PDB-code
| Kinase structure | |
| Kinase: | MAP2K1 |
| Family: | STE7 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2062 |
| PDB: | 7UMB |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2023-09-27 |
| PubMed: | 37919548 |
| Chain: | B |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.8° (16Å) |
| G-rich loop rotation: | 38.9° |
| Quality Score: | 5.2 |
| Resolution: | 3.231 Å |
| Missing Residues: | 5 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | SELGAGNGGVVFKMARKLIQIIRELQVLHECNPYIVGFYGASICMEHMDGGSLDQVLKKLREKHKIMHRDVKPSNILVLCDFGVS |
| Sequence structure: | ELIGKGRFGQVYHVAIRLIEVMAYRQTRHE___NVVLFMGAAI_ITSLCGRTLYSVVRDLHAK_GILHKDLKSKNVFYITDFGLF |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| 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 E 670 | 2 L 671 | 3 I 672 | 4 G 673 | 5 K 674 | 6 G 675 | 7 R 676 | 8 F 677 | 9 G 678 | 10 Q 679 | 11 V 680 | 12 Y 681 | 13 H 682 | 14 V 689 | 15 A 690 | 16 I 691 | 17 R 692 | 18 L 693 | 19 I 694 | 20 E 710 |
| • | • | • | • | •• | • | • | • | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 711 | 22 M 712 | 23 A 713 | 24 Y 714 | 25 R 715 | 26 Q 716 | 27 T 717 | 28 R 718 | 29 H 719 | 30 E 720 | 31 _ _ | 32 _ _ | 33 _ _ | 34 N 721 | 35 V 722 | 36 V 723 | 37 L 724 | 38 F 725 | 39 M 726 | 40 G 727 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 728 | 42 A 736 | 43 I 737 | 44 _ _ | 45 I 738 | 46 T 739 | 47 S 740 | 48 L 741 | 49 C 742 | 50 G 744 | 51 R 745 | 52 T 746 | 53 L 747 | 54 Y 748 | 55 S 749 | 56 V 750 | 57 V 751 | 58 R 752 | 59 D 753 | 60 L 777 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 H 778 | 62 A 779 | 63 K 780 | 64 _ _ | 65 G 781 | 66 I 782 | 67 L 783 | 68 H 784 | 69 K 785 | 70 D 786 | 71 L 787 | 72 K 788 | 73 S 789 | 74 K 790 | 75 N 791 | 76 V 792 | 77 F 793 | 78 Y 794 | 79 I 801 | 80 T 802 |
| • | •• | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 803 | 82 F 804 | 83 G 805 | 84 L 806 | 85 F 807 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
