PDB-code
| Kinase structure | |
| Kinase: | PRKCQ (PKCt) |
| Family: | PKC |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1488 |
| PDB: | 5F9E |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-05-11 |
| PubMed: | 27117263 |
| Chain: | B |
| (Alternate) Model: | A |
| Orthosteric ligand: | 5VS |
 | |
| More entries for 5F9E | |||||
| 5F9E | Alternative model: | A | Chain: | A | |
| 5F9E | Alternative model: | B | Chain: | A | |
| 5F9E | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.9° (17.5Å) |
| G-rich loop rotation: | 39.5° |
| Quality Score: | 8 |
| Resolution: | 2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I4 I5 | Ligand No No | Protein Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | KMLGKGSFGKVFLFAIKALCTMVEKRVLSLAWPFLTHMFCTFFVMEYLNGGDLMYHIQSFLHSKGIVYRDLKLDNILLIADFGMC |
| Sequence structure: | KMLGKGSFGKVFLFAIKALCTMVEKRVLSLAWPFLTHMFCTFFVMEYLNGGDLMYHIQSFLHSKGIVYRDLKLDNILLIADFGMC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3798679 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Protein kinase C theta | 7.8 | 7.8 | 9.3 | pIC50 | 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 K 384 | 2 M 385 | 3 L 386 | 4 G 387 | 5 K 388 | 6 G 389 | 7 S 390 | 8 F 391 | 9 G 392 | 10 K 393 | 11 V 394 | 12 F 395 | 13 L 396 | 14 F 406 | 15 A 407 | 16 I 408 | 17 K 409 | 18 A 410 | 19 L 411 | 20 C 424 |
| • | • | •• | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 425 | 22 M 426 | 23 V 427 | 24 E 428 | 25 K 429 | 26 R 430 | 27 V 431 | 28 L 432 | 29 S 433 | 30 L 434 | 31 A 435 | 32 W 436 | 33 P 439 | 34 F 440 | 35 L 441 | 36 T 442 | 37 H 443 | 38 M 444 | 39 F 445 | 40 C 446 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 T 447 | 42 F 455 | 43 F 456 | 44 V 457 | 45 M 458 | 46 E 459 | 47 Y 460 | 48 L 461 | 49 N 462 | 50 G 463 | 51 G 464 | 52 D 465 | 53 L 466 | 54 M 467 | 55 Y 468 | 56 H 469 | 57 I 470 | 58 Q 471 | 59 S 472 | 60 F 494 |
| • | • | •• | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 495 | 62 H 496 | 63 S 497 | 64 K 498 | 65 G 499 | 66 I 500 | 67 V 501 | 68 Y 502 | 69 R 503 | 70 D 504 | 71 L 505 | 72 K 506 | 73 L 507 | 74 D 508 | 75 N 509 | 76 I 510 | 77 L 511 | 78 L 512 | 79 I 520 | 80 A 521 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 522 | 82 F 523 | 83 G 524 | 84 M 525 | 85 C 526 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
