PDB-code
| Kinase structure | |
| Kinase: | HASPIN (Haspin) |
| Family: | Haspin |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2028 |
| PDB: | 6G34 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-04-18 |
| PubMed: | 29601130 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 5ID |
 | |
| More entries for 6G34 | |||||
| 6G34 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 50.7° (15.4Å) |
| G-rich loop rotation: | 65.9° |
| Quality Score: | 8 |
| Resolution: | 1.76 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I4 I5 I7 | Ligand No No Yes | Protein Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | EKIGEGVFGEVFQVAIKIIEILPEIIISKELSEGFIGLNSVVLEFEFGG-IDLEQMRTKAEASLRFEHRDLHWGNVLLIIDYTLS |
| Sequence structure: | EKIGEGVFGEVFQVAIKIIEILPEIIISKELSEGFIGLNSVVLEFEFGG_IDLEQMRTKAEASLRFEHRDLHWGNVLLIIDYTLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL99203 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase ERK2 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | MAP kinase ERK2 | 6.3 | 6.3 | 6.3 | pKi | 1 |
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 47 | 2 K 48 | 3 I 49 | 4 G 50 | 5 E 51 | 6 G 52 | 7 V 53 | 8 F 54 | 9 G 55 | 10 E 56 | 11 V 57 | 12 F 58 | 13 Q 59 | 14 V 67 | 15 A 68 | 16 I 69 | 17 K 70 | 18 I 71 | 19 I 72 | 20 E 90 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 91 | 22 L 92 | 23 P 93 | 24 E 94 | 25 I 95 | 26 I 96 | 27 I 97 | 28 S 98 | 29 K 99 | 30 E 100 | 31 L 101 | 32 S 102 | 33 E 113 | 34 G 114 | 35 F 115 | 36 I 116 | 37 G 117 | 38 L 118 | 39 N 119 | 40 S 120 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 121 | 42 V 161 | 43 L 162 | 44 E 163 | 45 F 164 | 46 E 165 | 47 F 166 | 48 G 167 | 49 G 168 | 50 _ _ | 51 I 169 | 52 D 170 | 53 L 171 | 54 E 172 | 55 Q 173 | 56 M 174 | 57 R 175 | 58 T 176 | 59 K 177 | 60 A 198 |
| • | • | •• | •• | • | •• | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 E 199 | 62 A 200 | 63 S 201 | 64 L 202 | 65 R 203 | 66 F 204 | 67 E 205 | 68 H 206 | 69 R 207 | 70 D 208 | 71 L 209 | 72 H 210 | 73 W 211 | 74 G 212 | 75 N 213 | 76 V 214 | 77 L 215 | 78 L 216 | 79 I 244 | 80 I 245 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 246 | 82 Y 247 | 83 T 248 | 84 L 249 | 85 S 250 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
