PDB-code
| More entries for 8ZKD | |||||
| 8ZKD | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 48.3° (14.5Å) |
| G-rich loop rotation: | 39.9° |
| Quality Score: | 8 |
| Resolution: | 2.05 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I2 I3 I5 I7 | Ligand Yes No No Yes | Protein Yes No Yes No | |
| Pocket alignment | |
| Uniprot sequence: | RVIGKGHFGVVYHCAIKSLAFLREGLLMRGLNPNVLALIGIHVLLPYMCHGDLLQFIRSYLAEQKFVHRDLAARNCMLVADFGLA |
| Sequence structure: | RVIGKGHFGVVYHCAIKSLAFLREGLLMRGLNPNVLALIGIHVLLPYMCHGDLLQFIRSYLAEQKFVHRDLAARNCMLVADFGLA |
| 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 R 1086 | 2 V 1087 | 3 I 1088 | 4 G 1089 | 5 K 1090 | 6 G 1091 | 7 H 1092 | 8 F 1093 | 9 G 1094 | 10 V 1095 | 11 V 1096 | 12 Y 1097 | 13 H 1098 | 14 C 1111 | 15 A 1112 | 16 I 1113 | 17 K 1114 | 18 S 1115 | 19 L 1116 | 20 A 1127 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 1128 | 22 L 1129 | 23 R 1130 | 24 E 1131 | 25 G 1132 | 26 L 1133 | 27 L 1134 | 28 M 1135 | 29 R 1136 | 30 G 1137 | 31 L 1138 | 32 N 1139 | 33 P 1141 | 34 N 1142 | 35 V 1143 | 36 L 1144 | 37 A 1145 | 38 L 1146 | 39 I 1147 | 40 G 1148 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 1149 | 42 H 1158 | 43 V 1159 | 44 L 1160 | 45 L 1161 | 46 P 1162 | 47 Y 1163 | 48 M 1164 | 49 C 1165 | 50 H 1166 | 51 G 1167 | 52 D 1168 | 53 L 1169 | 54 L 1170 | 55 Q 1171 | 56 F 1172 | 57 I 1173 | 58 R 1174 | 59 S 1175 | 60 Y 1198 |
| • | •• | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1199 | 62 A 1200 | 63 E 1201 | 64 Q 1202 | 65 K 1203 | 66 F 1204 | 67 V 1205 | 68 H 1206 | 69 R 1207 | 70 D 1208 | 71 L 1209 | 72 A 1210 | 73 A 1211 | 74 R 1212 | 75 N 1213 | 76 C 1214 | 77 M 1215 | 78 L 1216 | 79 V 1224 | 80 A 1225 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1226 | 82 F 1227 | 83 G 1228 | 84 L 1229 | 85 A 1230 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





