PDB-code
| Kinase structure | |
| Kinase: | EIF2AK3 (PEK) |
| Family: | PEK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2017 |
| PDB: | 8EQ9 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-11-30 |
| PubMed: | 36297668 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | WPB |
 | |
| More entries for 8EQ9 | |||||
| 8EQ9 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 4 |
| Resolution: | 2.86 Å |
| Missing Residues: | 41 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-B BP-II-in | |||
| Pocket alignment | |
| Uniprot sequence: | QCLGRGGFGVVFEYAIKRIKVMREVKALAKLEPGIVRYFNAYIQMQLCRKENLKDWMNGFLHSKGLMHRDLKPSNIFFVGDFGLV |
| Sequence structure: | _________________________________________YIQMQLCRKENLKDWMNGFLHSKGLMHRNLKPSNIFFVGDFGLV |
| 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 _ _ | 2 _ _ | 3 _ _ | 4 _ _ | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 _ _ | 10 _ _ | 11 _ _ | 12 _ _ | 13 _ _ | 14 _ _ | 15 _ _ | 16 _ _ | 17 _ _ | 18 _ _ | 19 _ _ | 20 _ _ |
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 _ _ | 26 _ _ | 27 _ _ | 28 _ _ | 29 _ _ | 30 _ _ | 31 _ _ | 32 _ _ | 33 _ _ | 34 _ _ | 35 _ _ | 36 _ _ | 37 _ _ | 38 _ _ | 39 _ _ | 40 _ _ |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 _ _ | 42 Y 885 | 43 I 886 | 44 Q 887 | 45 M 888 | 46 Q 889 | 47 L 890 | 48 C 891 | 49 R 892 | 50 K 893 | 51 E 894 | 52 N 895 | 53 L 896 | 54 K 897 | 55 D 898 | 56 W 899 | 57 M 900 | 58 N 901 | 59 G 902 | 60 F 927 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 928 | 62 H 929 | 63 S 930 | 64 K 931 | 65 G 932 | 66 L 933 | 67 M 934 | 68 H 935 | 69 R 936 | 70 N 937 | 71 L 938 | 72 K 939 | 73 P 940 | 74 S 941 | 75 N 942 | 76 I 943 | 77 F 944 | 78 F 945 | 79 V 953 | 80 G 954 |
| •• | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 955 | 82 F 956 | 83 G 957 | 84 L 958 | 85 V 959 | |||||||||||||||
| • | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
