PDB-code
| Kinase structure | |
| Kinase: | CDK13 (CHED) |
| Family: | CDK |
| Group: | CMGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1966 |
| PDB: | 5EFQ |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-12-30 |
| PubMed: | 26748711 |
| Chain: | C |
| Orthosteric ligand: | ADP |
 | |
| More entries for 5EFQ | |||
| 5EFQ | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58.9° (17.7Å) |
| G-rich loop rotation: | 72.5° |
| Quality Score: | 9 |
| Resolution: | 2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 10 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I4 I5 I6 | Ligand No Yes Yes | Protein Yes Yes No |
| Pocket alignment | |
| Uniprot sequence: | GIIGEGTYGQVYKVALKKVTAIREIKILRQLTQSIINMKEIYLVFEYMD-HDLMGLLESYCHKKNFLHRDIKCSNILLLADFGLA |
| Sequence structure: | GIIGEGTYGQVYKVALKKVTAIREIKILRQLTQSIINMKEIYLVFEYMD_HDLMGLLESYCHKKNFLHRDIKCSNILLLADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
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 G 709 | 2 I 710 | 3 I 711 | 4 G 712 | 5 E 713 | 6 G 714 | 7 T 715 | 8 Y 716 | 9 G 717 | 10 Q 718 | 11 V 719 | 12 Y 720 | 13 K 721 | 14 V 731 | 15 A 732 | 16 L 733 | 17 K 734 | 18 K 735 | 19 V 736 | 20 T 748 |
| • | • | • | • | •• | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 749 | 22 I 750 | 23 R 751 | 24 E 752 | 25 I 753 | 26 K 754 | 27 I 755 | 28 L 756 | 29 R 757 | 30 Q 758 | 31 L 759 | 32 T 760 | 33 Q 762 | 34 S 763 | 35 I 764 | 36 I 765 | 37 N 766 | 38 M 767 | 39 K 768 | 40 E 769 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 770 | 42 Y 788 | 43 L 789 | 44 V 790 | 45 F 791 | 46 E 792 | 47 Y 793 | 48 M 794 | 49 D 795 | 50 _ _ | 51 H 796 | 52 D 797 | 53 L 798 | 54 M 799 | 55 G 800 | 56 L 801 | 57 L 802 | 58 E 803 | 59 S 804 | 60 Y 827 |
| • | •• | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 828 | 62 H 829 | 63 K 830 | 64 K 831 | 65 N 832 | 66 F 833 | 67 L 834 | 68 H 835 | 69 R 836 | 70 D 837 | 71 I 838 | 72 K 839 | 73 C 840 | 74 S 841 | 75 N 842 | 76 I 843 | 77 L 844 | 78 L 845 | 79 L 853 | 80 A 854 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 855 | 82 F 856 | 83 G 857 | 84 L 858 | 85 A 859 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
