PDB-code
| Kinase structure | |
| Kinase: | MAP4K1 (HPK1) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2085 |
| PDB: | 7L25 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-03-17 |
| PubMed: | 33738073 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | XHS |
 | |
| More entries for 7L25 | |||||
| 7L25 | Alternative model: | A | Chain: | B | |
| 7L25 | Alternative model: | B | Chain: | A | |
| 7L25 | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 60.1° (18.6Å) |
| G-rich loop rotation: | 50.5° |
| Quality Score: | 8 |
| Resolution: | 1.85 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I10 I11 | Ligand No Yes | Protein Yes Yes |
| Pocket alignment | |
| Uniprot sequence: | QRLGGGTYGEVFKVALKMVTLQKEILILKTCRANIVAYHGSWICMEFCGAGSLQDIYQVYLHSQKKIHRDIKGANILILADFGIS |
| Sequence structure: | QRLGGGTYGEVFKVALKMVTLQKEILILKTCRANIVAYHGSWICMEFCGAGSLQDIYQVYLHSQKKIHRDIKGANILILADFGIS |
| 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 Q 21 | 2 R 22 | 3 L 23 | 4 G 24 | 5 G 25 | 6 G 26 | 7 T 27 | 8 Y 28 | 9 G 29 | 10 E 30 | 11 V 31 | 12 F 32 | 13 K 33 | 14 V 43 | 15 A 44 | 16 L 45 | 17 K 46 | 18 M 47 | 19 V 48 | 20 T 58 |
| • | •• | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 59 | 22 Q 60 | 23 K 61 | 24 E 62 | 25 I 63 | 26 L 64 | 27 I 65 | 28 L 66 | 29 K 67 | 30 T 68 | 31 C 69 | 32 R 70 | 33 A 72 | 34 N 73 | 35 I 74 | 36 V 75 | 37 A 76 | 38 Y 77 | 39 H 78 | 40 G 79 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 80 | 42 W 88 | 43 I 89 | 44 C 90 | 45 M 91 | 46 E 92 | 47 F 93 | 48 C 94 | 49 G 95 | 50 A 96 | 51 G 97 | 52 S 98 | 53 L 99 | 54 Q 100 | 55 D 101 | 56 I 102 | 57 Y 103 | 58 Q 104 | 59 V 105 | 60 Y 127 |
| • | • | •• | •• | • | • | ••• | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 128 | 62 H 129 | 63 S 130 | 64 Q 131 | 65 K 132 | 66 K 133 | 67 I 134 | 68 H 135 | 69 R 136 | 70 D 137 | 71 I 138 | 72 K 139 | 73 G 140 | 74 A 141 | 75 N 142 | 76 I 143 | 77 L 144 | 78 I 145 | 79 L 153 | 80 A 154 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 155 | 82 F 156 | 83 G 157 | 84 I 158 | 85 S 159 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
