PDB-code
| Kinase structure | |
| Kinase: | OXSR1 (OSR1) |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2132 |
| PDB: | 3DAK |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-02-10 |
| PubMed: | 19177573 |
| Chain: | B |
| Orthosteric ligand: | ANP |
 | |
| More entries for 3DAK | |||
| 3DAK | Chain: | A | |
| 3DAK | Chain: | C | |
| 3DAK | Chain: | D | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 59.4° (18Å) |
| G-rich loop rotation: | 28° |
| Quality Score: | 8 |
| Resolution: | 2.25 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I5 I7 | Ligand Yes No Yes | Protein Yes Yes No | |
| Pocket alignment | |
| Uniprot sequence: | EVIGSGATAVVQAVAIKRIELLKEIQAMSQCHPNIVSYYTSWLVMKLLSGGSVLDIIKHYLHKNGQIHRDVKAGNILLIADFGVS |
| Sequence structure: | EVIGSGATAVVQAVAIKRIELLKEIQAMSQCHPNIVSYYTSWLVMKLLSGGSVLDIIKHYLHKNGQIHRDVKAGNILLIADFGVS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 21 | 2 V 22 | 3 I 23 | 4 G 24 | 5 S 25 | 6 G 26 | 7 A 27 | 8 T 28 | 9 A 29 | 10 V 30 | 11 V 31 | 12 Q 32 | 13 A 33 | 14 V 43 | 15 A 44 | 16 I 45 | 17 K 46 | 18 R 47 | 19 I 48 | 20 E 59 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 60 | 22 L 61 | 23 K 62 | 24 E 63 | 25 I 64 | 26 Q 65 | 27 A 66 | 28 M 67 | 29 S 68 | 30 Q 69 | 31 C 70 | 32 H 71 | 33 P 73 | 34 N 74 | 35 I 75 | 36 V 76 | 37 S 77 | 38 Y 78 | 39 Y 79 | 40 T 80 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 81 | 42 W 89 | 43 L 90 | 44 V 91 | 45 M 92 | 46 K 93 | 47 L 94 | 48 L 95 | 49 S 96 | 50 G 97 | 51 G 98 | 52 S 99 | 53 V 100 | 54 L 101 | 55 D 102 | 56 I 103 | 57 I 104 | 58 K 105 | 59 H 106 | 60 Y 136 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 137 | 62 H 138 | 63 K 139 | 64 N 140 | 65 G 141 | 66 Q 142 | 67 I 143 | 68 H 144 | 69 R 145 | 70 D 146 | 71 V 147 | 72 K 148 | 73 A 149 | 74 G 150 | 75 N 151 | 76 I 152 | 77 L 153 | 78 L 154 | 79 I 162 | 80 A 163 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 164 | 82 F 165 | 83 G 166 | 84 V 167 | 85 S 168 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
