PDB-code
| Kinase structure | |
| Kinase: | EPHB4 (EphB4) |
| Family: | Eph |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1833 |
| PDB: | 4AW5 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-08-01 |
| PubMed: | 22765894 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 30K |
 | |
| More entries for 4AW5 | |||||
| 4AW5 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.8° (18.3Å) |
| G-rich loop rotation: | 85.5° |
| Quality Score: | 7.2 |
| Resolution: | 2.33 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | EVIGAGEFGEVCRVAIKTLEFLSEASIMGQFEPNIIRLEGVMILTEFMENGALDSFLRLYLAEMSYVHRDLAARNILVVSDFGLS |
| Sequence structure: | EVIGAGEFGEVCRVAIKTLEFLSEASIMGQFEPNIIRLEGVMILTEFMENGALDSFLRLYLAEMSYVHRDLAARNILVVSDFG__ |
| 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 95 | 2 V 96 | 3 I 97 | 4 G 98 | 5 A 99 | 6 G 100 | 7 E 101 | 8 F 102 | 9 G 103 | 10 E 104 | 11 V 105 | 12 C 106 | 13 R 107 | 14 V 120 | 15 A 121 | 16 I 122 | 17 K 123 | 18 T 124 | 19 L 125 | 20 E 136 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 137 | 22 L 138 | 23 S 139 | 24 E 140 | 25 A 141 | 26 S 142 | 27 I 143 | 28 M 144 | 29 G 145 | 30 Q 146 | 31 F 147 | 32 E 148 | 33 P 150 | 34 N 151 | 35 I 152 | 36 I 153 | 37 R 154 | 38 L 155 | 39 E 156 | 40 G 157 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 158 | 42 M 166 | 43 I 167 | 44 L 168 | 45 T 169 | 46 E 170 | 47 F 171 | 48 M 172 | 49 E 173 | 50 N 174 | 51 G 175 | 52 A 176 | 53 L 177 | 54 D 178 | 55 S 179 | 56 F 180 | 57 L 181 | 58 R 182 | 59 L 183 | 60 Y 206 |
| • | • | •• | •• | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 207 | 62 A 208 | 63 E 209 | 64 M 210 | 65 S 211 | 66 Y 212 | 67 V 213 | 68 H 214 | 69 R 215 | 70 D 216 | 71 L 217 | 72 A 218 | 73 A 219 | 74 R 220 | 75 N 221 | 76 I 222 | 77 L 223 | 78 V 224 | 79 V 232 | 80 S 233 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 234 | 82 F 235 | 83 G 236 | 84 _ _ | 85 _ _ | |||||||||||||||
| ••• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
