PDB-code
| Kinase structure | |
| Kinase: | MAP3K20 (ZAK) |
| Family: | MLK |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2289 |
| PDB: | 7YAW |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2023-08-09 |
| PubMed: | 37220641 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | IGS |
 | |
| More entries for 7YAW | |||||
| 7YAW | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 63.8° (18.4Å) |
| G-rich loop rotation: | 47.1° |
| Quality Score: | 8 |
| Resolution: | 2.1 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-in BP-II-A-in BP-II-B-in | Cluster I2 I3 | Ligand No Yes | Protein Yes No |
| Pocket alignment | |
| Uniprot sequence: | ENCGGGSFGSVYRVAVKKLKIEKEAEILSVLSRNIIQFYGVGIVTEYASLGSLYDYINSMEAPVKVIHRDLKSRNVVIICDFGAS |
| Sequence structure: | ENCGGGSFGSVYRVAVKKLKIEKEAEILSVLSRNIIQFYGVGIVTEYASLGSLYDYINSMEAPVKVIHRDLKSRNVVIICDFGAS |
| 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 E 20 | 2 N 21 | 3 C 22A | 4 G 23 | 5 G 24 | 6 G 25 | 7 S 26 | 8 F 27 | 9 G 28 | 10 S 29 | 11 V 30 | 12 Y 31 | 13 R 32 | 14 V 42 | 15 A 43 | 16 V 44 | 17 K 45 | 18 K 46 | 19 L 47 | 20 K 49 |
| • | • | • | • | • | • | •• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 50 | 22 E 51 | 23 K 52 | 24 E 53 | 25 A 54 | 26 E 55 | 27 I 56 | 28 L 57 | 29 S 58 | 30 V 59 | 31 L 60 | 32 S 61 | 33 R 63 | 34 N 64 | 35 I 65 | 36 I 66 | 37 Q 67 | 38 F 68 | 39 Y 69 | 40 G 70 |
| • | • | • | • | • | •• | ||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 71 | 42 G 79 | 43 I 80 | 44 V 81 | 45 T 82 | 46 E 83 | 47 Y 84 | 48 A 85 | 49 S 86 | 50 L 87 | 51 G 88 | 52 S 89 | 53 L 90 | 54 Y 91 | 55 D 92 | 56 Y 93 | 57 I 94 | 58 N 95 | 59 S 96 | 60 M 123 |
| • | • | • | ••• | ••• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 E 124 | 62 A 125 | 63 P 126 | 64 V 127 | 65 K 128 | 66 V 129 | 67 I 130 | 68 H 131 | 69 R 132 | 70 D 133 | 71 L 134 | 72 K 135 | 73 S 136 | 74 R 137 | 75 N 138 | 76 V 139 | 77 V 140 | 78 I 141 | 79 I 149 | 80 C 150 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 151 | 82 F 152 | 83 G 153 | 84 A 154 | 85 S 155 | |||||||||||||||
| •• | •• | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
