PDB-code
| Kinase structure | |
| Kinase: | STK3 (MST2) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2219 |
| PDB: | 5DH3 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-08-31 |
| PubMed: | 27535619 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 5BS |
 | |
| More entries for 5DH3 | |||||
| 5DH3 | Alternative model: | A | Chain: | B | |
| 5DH3 | Alternative model: | B | Chain: | A | |
| 5DH3 | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.9° (15.3Å) |
| G-rich loop rotation: | 84.8° |
| Quality Score: | 9.6 |
| Resolution: | 2.47 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I | Cluster I10 | Ligand Yes | Protein No |
| Pocket alignment | |
| Uniprot sequence: | EKLGEGSYGSVFKVAIKQVEIIKEISIMQQCDPYVVKYYGSWIVMEYCGAGSVSDIIRLYLHFMRKIHRDIKAGNILLLADFGVA |
| Sequence structure: | EKLGEGSYGSVFKVAIKQVEIIKEISIMQQCDPYVVKYYGSWIVMEYCGAGSVSDIIRLYLHFMRKIHRDIKAGNILLLADFGVA |
| 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 31 | 2 K 32 | 3 L 33 | 4 G 34 | 5 E 35 | 6 G 36 | 7 S 37 | 8 Y 38 | 9 G 39 | 10 S 40 | 11 V 41 | 12 F 42 | 13 K 43 | 14 V 53 | 15 A 54 | 16 I 55 | 17 K 56 | 18 Q 57 | 19 V 58 | 20 E 66 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 67 | 22 I 68 | 23 K 69 | 24 E 70 | 25 I 71 | 26 S 72 | 27 I 73 | 28 M 74 | 29 Q 75 | 30 Q 76 | 31 C 77 | 32 D 78 | 33 P 80 | 34 Y 81 | 35 V 82 | 36 V 83 | 37 K 84 | 38 Y 85 | 39 Y 86 | 40 G 87 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 88 | 42 W 96 | 43 I 97 | 44 V 98 | 45 M 99 | 46 E 100 | 47 Y 101 | 48 C 102 | 49 G 103 | 50 A 104 | 51 G 105 | 52 S 106 | 53 V 107 | 54 S 108 | 55 D 109 | 56 I 110 | 57 I 111 | 58 R 112 | 59 L 113 | 60 Y 136 |
| • | • | •• | ••• | • | • | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 137 | 62 H 138 | 63 F 139 | 64 M 140 | 65 R 141 | 66 K 142 | 67 I 143 | 68 H 144 | 69 R 145 | 70 D 146 | 71 I 147 | 72 K 148 | 73 A 149 | 74 G 150 | 75 N 151 | 76 I 152 | 77 L 153 | 78 L 154 | 79 L 162 | 80 A 163 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 164 | 82 F 165 | 83 G 166 | 84 V 167 | 85 A 168 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
