PDB-code
| Kinase structure | |
| Kinase: | PRKCI (PKCi) |
| Family: | PKC |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1490 |
| PDB: | 5LIH |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-09-14 |
| PubMed: | 27554858 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | ADP |
 | |
| More entries for 5LIH | |||||
| 5LIH | Alternative model: | A | Chain: | B | |
| 5LIH | Alternative model: | B | Chain: | A | |
| 5LIH | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 49.7° (14.6Å) |
| G-rich loop rotation: | 55.1° |
| Quality Score: | 8.3 |
| Resolution: | 3.25 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 17 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II | |||
| Pocket alignment | |
| Uniprot sequence: | RVIGRGSYAKVLLYAMKVVWVQTEKHVFEQASPFLVGLHSCFFVIEYVNGGDLMFHMQRYLHERGIIYRDLKLDNVLLLTDYGMC |
| Sequence structure: | RVIGRGSYAKVLLYAMKVVWVQTEKHVFEQASPFLVGLHSCFFVIEYVNGGDLMFHMQRYLHERGIIYRDLKLDNVLLLTDYGMC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14830 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 4.2 | 4.2 | 5.4 | pKd | 2 |
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 258 | 2 V 259 | 3 I 260 | 4 G 261 | 5 R 262 | 6 G 263 | 7 S 264 | 8 Y 265 | 9 A 266 | 10 K 267 | 11 V 268 | 12 L 269 | 13 L 270 | 14 Y 280 | 15 A 281 | 16 M 282 | 17 K 283 | 18 V 284 | 19 V 285 | 20 W 298 |
| • | • | • | • | • | • | • | •• | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 299 | 22 Q 300 | 23 T 301 | 24 E 302 | 25 K 303 | 26 H 304 | 27 V 305 | 28 F 306 | 29 E 307 | 30 Q 308 | 31 A 309 | 32 S 310 | 33 P 313 | 34 F 314 | 35 L 315 | 36 V 316 | 37 G 317 | 38 L 318 | 39 H 319 | 40 S 320 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 C 321 | 42 F 329 | 43 F 330 | 44 V 331 | 45 I 332 | 46 E 333 | 47 Y 334 | 48 V 335 | 49 N 336 | 50 G 337 | 51 G 338 | 52 D 339 | 53 L 340 | 54 M 341 | 55 F 342 | 56 H 343 | 57 M 344 | 58 Q 345 | 59 R 346 | 60 Y 368 |
| • | •• | • | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 369 | 62 H 370 | 63 E 371 | 64 R 372 | 65 G 373 | 66 I 374 | 67 I 375 | 68 Y 376 | 69 R 377 | 70 D 378 | 71 L 379 | 72 K 380 | 73 L 381 | 74 D 382 | 75 N 383 | 76 V 384 | 77 L 385 | 78 L 386 | 79 L 394 | 80 T 395 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 396 | 82 Y 397 | 83 G 398 | 84 M 399 | 85 C 400 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
